(3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol

C15H24O2 — CID 24862282

IUPAC(3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol
SMILESC=C1[C@H]2[C@@H](C[C@@H]1O)C[C@]1(C)CC[C@](C)(CO)[C@H]21
InChIInChI=1S/C15H24O2/c1-9-11(17)6-10-7-14(2)4-5-15(3,8-16)13(14)12(9)10/h10-13,16-17H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14-,15+/m0/s1
InChIKeyNAKBMNLPWOICPI-CTTWBBHYSA-N
MW236.35 g/mol
LogP2.36
Rot. Bonds1

About (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol

(3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol (PubChem CID 24862282) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol.

Molecular Properties

Compound Name(3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol
PubChem CID24862282
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol
SMILESC=C1[C@H]2[C@@H](C[C@@H]1O)C[C@]1(C)CC[C@](C)(CO)[C@H]21
InChIInChI=1S/C15H24O2/c1-9-11(17)6-10-7-14(2)4-5-15(3,8-16)13(14)12(9)10/h10-13,16-17H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14-,15+/m0/s1
InChIKeyNAKBMNLPWOICPI-CTTWBBHYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
The IUPAC name of (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol (CID 24862282) is (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol.
What is the SMILES notation for (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
The canonical SMILES for (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol is C=C1[C@H]2[C@@H](C[C@@H]1O)C[C@]1(C)CC[C@](C)(CO)[C@H]21.
What is the InChIKey of (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
The InChIKey is NAKBMNLPWOICPI-CTTWBBHYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-11(17)6-10-7-14(2)4-5-15(3,8-16)13(14)12(9)10/h10-13,16-17H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14-,15+/m0/s1.
What are the key properties of (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
(3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol has a molecular weight of 236.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,3bS,5S,6aR,7aS)-3-(hydroxymethyl)-3,7a-dimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol is sourced from PubChem (CID 24862282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).