(4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol

C19H30O2 — CID 58828479

IUPAC(4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
SMILESCC(C)(O)/C=C\CC1(C2=CCC3[C@@H](O)CCC[C@]23C)CC1
InChIInChI=1S/C19H30O2/c1-17(2,21)9-5-11-19(12-13-19)16-8-7-14-15(20)6-4-10-18(14,16)3/h5,8-9,14-15,20-21H,4,6-7,10-13H2,1-3H3/b9-5-/t14?,15-,18-/m0/s1
InChIKeySGBKJXIYZGIQQQ-XGWQMOTMSA-N
MW290.45 g/mol
LogP3.98
Rot. Bonds4

About (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol

(4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol (PubChem CID 58828479) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol.

Molecular Properties

Compound Name(4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
PubChem CID58828479
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
SMILESCC(C)(O)/C=C\CC1(C2=CCC3[C@@H](O)CCC[C@]23C)CC1
InChIInChI=1S/C19H30O2/c1-17(2,21)9-5-11-19(12-13-19)16-8-7-14-15(20)6-4-10-18(14,16)3/h5,8-9,14-15,20-21H,4,6-7,10-13H2,1-3H3/b9-5-/t14?,15-,18-/m0/s1
InChIKeySGBKJXIYZGIQQQ-XGWQMOTMSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol with MolForge

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Related Compounds

(3aR,4S,7aR)-7a-methyl-1-[1-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 90986213
(4S,7aS)-7a-methyl-1-[1-[5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 90822200
(4S,7aS)-1-[1-(2-hydroxy-2-methylpropyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 71053122
(3aR,4S,7aS)-1-[1-(4-hydroxy-4-methylpenta-1,2-dienyl)cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 143095760
(7aS)-1-[(E,2S)-6,6-dimethylhept-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one;(4S,7aS)-1-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 162100883
1-(6-ethyl-2-hydroxyoct-4-en-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 56988615
(3aR,4S,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 100993420
(3aR,4S,7aS)-1-[(2S)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 59910670
(3aR,7aR)-7a-methyl-1-[1-[(E)-5,5,5-trifluoro-4-(trifluoromethyl)-4-trimethylsilyloxypent-2-enyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 87746297
(3S)-3-[(4S,7aS)-4-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]butanal
CID 89258183
1-(1-hydroxypropan-2-yl)-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 18736936
(2S)-2-[(3aR,4S,7aS)-4-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]butanal
CID 88923566

Frequently Asked Questions

What is the IUPAC name of (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The IUPAC name of (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol (CID 58828479) is (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol.
What is the SMILES notation for (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The canonical SMILES for (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol is CC(C)(O)/C=C\CC1(C2=CCC3[C@@H](O)CCC[C@]23C)CC1.
What is the InChIKey of (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
The InChIKey is SGBKJXIYZGIQQQ-XGWQMOTMSA-N. The full InChI is InChI=1S/C19H30O2/c1-17(2,21)9-5-11-19(12-13-19)16-8-7-14-15(20)6-4-10-18(14,16)3/h5,8-9,14-15,20-21H,4,6-7,10-13H2,1-3H3/b9-5-/t14?,15-,18-/m0/s1.
What are the key properties of (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol?
(4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol has a molecular weight of 290.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol is sourced from PubChem (CID 58828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).