Research chemical
CAS Number: 68957-81-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
94646
Exact Mass
1088.992221
InChIKey
SBSKDQAYPPMLKA-UHFFFAOYSA-N
IUPAC Name
[3-(14-methylpentadecanoyloxy)-2,2-bis(14-methylpentadecanoyloxymethyl)propyl] 14-methylpentadecanoate
SMILES String
CC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Isohexadecanoic acid, 1,1'-(2,2-bis(((1-oxoisohexadecyl)oxy)methyl)-1,3-propanediyl) ester is identified by CAS 68957-81-3, with molecular formula C69H132O8, molecular weight 1089.8, InChIKey SBSKDQAYPPMLKA-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
77
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
60
Ring count
0
Aromatic rings
0
Topological polar surface area
105.2 Ų
Computed LogP
21.49
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Isohexadecanoic acid, 1,1'-(2,2-bis(((1-oxoisohexadecyl)oxy)methyl)-1,3-propanediyl) ester (CAS 68957-81-3) is maintained as a commercial cas reference with formula C69H132O8, molecular weight 1089. 80 g/mol, PubChem CID 94646.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.