(1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol

C15H24O2 — CID 162922460

IUPAC(1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol
SMILESC=C1CC[C@H](O)[C@@]2(C)CCC(=C(C)CO)C[C@H]12
InChIInChI=1S/C15H24O2/c1-10-4-5-14(17)15(3)7-6-12(8-13(10)15)11(2)9-16/h13-14,16-17H,1,4-9H2,2-3H3/t13-,14+,15+/m1/s1
InChIKeyWOUWIAPWHCZUBH-ILXRZTDVSA-N
MW236.35 g/mol
LogP2.81
Rot. Bonds1

About (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol

(1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol (PubChem CID 162922460) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol
PubChem CID162922460
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol
SMILESC=C1CC[C@H](O)[C@@]2(C)CCC(=C(C)CO)C[C@H]12
InChIInChI=1S/C15H24O2/c1-10-4-5-14(17)15(3)7-6-12(8-13(10)15)11(2)9-16/h13-14,16-17H,1,4-9H2,2-3H3/t13-,14+,15+/m1/s1
InChIKeyWOUWIAPWHCZUBH-ILXRZTDVSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
CID 14262022
(1R)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol
CID 91751364
(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
CID 56672124
(4aR,8R,8aR,9aS)-8-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
CID 51692910
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
CID 51692908
(4aS,8aR)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene
CID 10655819
(1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 10466747
(1S,2R,4aS,5S,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 162905517
8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 75221124
(2E)-2-(7,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-ylidene)propan-1-ol
CID 70968357
2-(1,5-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
CID 138990134
[(2E)-2-[(4aR,5R,8aS)-4a-methyl-8-methylidene-5-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ylidene]propyl] 2,2-dimethylpropanoate
CID 25158638

Frequently Asked Questions

What is the IUPAC name of (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol?
The IUPAC name of (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol (CID 162922460) is (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol.
What is the SMILES notation for (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol?
The canonical SMILES for (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol is C=C1CC[C@H](O)[C@@]2(C)CCC(=C(C)CO)C[C@H]12.
What is the InChIKey of (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol?
The InChIKey is WOUWIAPWHCZUBH-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-4-5-14(17)15(3)7-6-12(8-13(10)15)11(2)9-16/h13-14,16-17H,1,4-9H2,2-3H3/t13-,14+,15+/m1/s1.
What are the key properties of (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol?
(1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol is sourced from PubChem (CID 162922460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).