Research chemical
CAS Number: 1014081-19-6
![methyl 2-((2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy)acetate molecular structure, CAS 1014081-19-6](/structure-images/1014081-19-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
17571561
Exact Mass
358.141638
InChIKey
PNBQTDFEVPYLAB-UHFFFAOYSA-N
IUPAC Name
methyl 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetate
SMILES String
COC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2
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.
methyl 2-((2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy)acetate is identified by CAS 1014081-19-6, with molecular formula C20H22O6, molecular weight 358.4, InChIKey PNBQTDFEVPYLAB-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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XLogP
3.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
3
Ring count
4
Aromatic rings
2
Topological polar surface area
74.97 Ų
Computed LogP
2.94
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
methyl 2-((2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy)acetate (CAS 1014081-19-6) is an English MolGraph catalog reference, molecular formula C20H22O6 and molecular weight 358. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.
Documentation needs
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Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.