(3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol

C15H24O3 — CID 24862230

IUPAC(3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol
SMILESC=C1[C@@H](O)C[C@H]2C[C@]3(CO)CCC(C)(C)[C@@H]3[C@@]12O
InChIInChI=1S/C15H24O3/c1-9-11(17)6-10-7-14(8-16)5-4-13(2,3)12(14)15(9,10)18/h10-12,16-18H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15+/m0/s1
InChIKeyGFKKVCMMVHTMDU-ZCRGAIPPSA-N
MW252.35 g/mol
LogP1.47
Rot. Bonds1

About (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol

(3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol (PubChem CID 24862230) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol.

Molecular Properties

Compound Name(3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol
PubChem CID24862230
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol
SMILESC=C1[C@@H](O)C[C@H]2C[C@]3(CO)CCC(C)(C)[C@@H]3[C@@]12O
InChIInChI=1S/C15H24O3/c1-9-11(17)6-10-7-14(8-16)5-4-13(2,3)12(14)15(9,10)18/h10-12,16-18H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15+/m0/s1
InChIKeyGFKKVCMMVHTMDU-ZCRGAIPPSA-N
XLogP1.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol 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 (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol?
The IUPAC name of (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol (CID 24862230) is (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol.
What is the SMILES notation for (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol?
The canonical SMILES for (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol is C=C1[C@@H](O)C[C@H]2C[C@]3(CO)CCC(C)(C)[C@@H]3[C@@]12O.
What is the InChIKey of (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol?
The InChIKey is GFKKVCMMVHTMDU-ZCRGAIPPSA-N. The full InChI is InChI=1S/C15H24O3/c1-9-11(17)6-10-7-14(8-16)5-4-13(2,3)12(14)15(9,10)18/h10-12,16-18H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15+/m0/s1.
What are the key properties of (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol?
(3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol has a molecular weight of 252.35 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol is sourced from PubChem (CID 24862230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).