Research chemical
CAS Number: 129831-99-8
![(1R,3S,5Z)-5-[(2E)-2-[(1R,7Ar)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol molecular structure, CAS 129831-99-8](/structure-images/129831-99-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
71576663
Exact Mass
414.313395
InChIKey
NQHWMFGCRBTMOO-KJLYFKKZSA-N
IUPAC Name
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SMILES String
C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CCC(O)C2CC2)C[C@@H](O)C[C@@H]1O
No physical property values available.
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.
(1R,3S,5Z)-5-[(2E)-2-[(1R,7Ar)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol is identified by CAS 129831-99-8, with molecular formula C27H42O3, molecular weight 414.6, InChIKey NQHWMFGCRBTMOO-KJLYFKKZSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
3
H-bond donors
3
Rotatable bonds
6
Ring count
4
Aromatic rings
0
Topological polar surface area
60.69 Ų
Computed LogP
5.31
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
60 g/mol, PubChem CID 71576663.
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; structure-derived tags include drug-like rule profile.
Documentation needs
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