Research chemical
CAS Number: 28781-91-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3308899
Exact Mass
392.095476
InChIKey
LDUSPBRBIGPHRQ-UHFFFAOYSA-N
IUPAC Name
hexamethyl propane-1,1,2,2,3,3-hexacarboxylate
SMILES String
COC(=O)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(C(=O)OC)C(=O)OC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester is identified by CAS 28781-91-1, with molecular formula C15H20O12, molecular weight 392.31, InChIKey LDUSPBRBIGPHRQ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
27
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
8
Ring count
0
Aromatic rings
0
Topological polar surface area
157.8 Ų
Computed LogP
-1.76
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
1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester (CAS 28781-91-1) is maintained as a commercial cas reference with formula C15H20O12, molecular weight 392. 31 g/mol, PubChem CID 3308899.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.