1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol

C20H34O3 — CID 51136415

IUPAC1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol
SMILESC=C1CCC2C(C(C)(C)O)CCC2(C)CC(O)C(=C)CCC1O
InChIInChI=1S/C20H34O3/c1-13-6-8-16-15(19(3,4)23)10-11-20(16,5)12-18(22)14(2)7-9-17(13)21/h15-18,21-23H,1-2,6-12H2,3-5H3
InChIKeyGOGZROZDRLVTLW-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.59
Rot. Bonds1

About 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol

1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol (PubChem CID 51136415) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol.

Molecular Properties

Compound Name1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol
PubChem CID51136415
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol
SMILESC=C1CCC2C(C(C)(C)O)CCC2(C)CC(O)C(=C)CCC1O
InChIInChI=1S/C20H34O3/c1-13-6-8-16-15(19(3,4)23)10-11-20(16,5)12-18(22)14(2)7-9-17(13)21/h15-18,21-23H,1-2,6-12H2,3-5H3
InChIKeyGOGZROZDRLVTLW-UHFFFAOYSA-N
XLogP3.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-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 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol?
The IUPAC name of 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol (CID 51136415) is 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol.
What is the SMILES notation for 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol?
The canonical SMILES for 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol is C=C1CCC2C(C(C)(C)O)CCC2(C)CC(O)C(=C)CCC1O.
What is the InChIKey of 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol?
The InChIKey is GOGZROZDRLVTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-13-6-8-16-15(19(3,4)23)10-11-20(16,5)12-18(22)14(2)7-9-17(13)21/h15-18,21-23H,1-2,6-12H2,3-5H3.
What are the key properties of 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol?
1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol has a molecular weight of 322.49 g/mol, XLogP of 3.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropan-2-yl)-3a-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12a-decahydro-1H-cyclopenta[11]annulene-5,9-diol is sourced from PubChem (CID 51136415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).