13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene

C22H36 — CID 91159612

IUPAC13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
SMILESC=C1CCC2C3CC(C)C4CCCCC4(C)C3CCC12CC
InChIInChI=1S/C22H36/c1-5-22-13-11-19-17(20(22)10-9-16(22)3)14-15(2)18-8-6-7-12-21(18,19)4/h15,17-20H,3,5-14H2,1-2,4H3
InChIKeyWMHZJRHVTLCJEY-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.61
Rot. Bonds1

About 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene

13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene (PubChem CID 91159612) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
PubChem CID91159612
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
SMILESC=C1CCC2C3CC(C)C4CCCCC4(C)C3CCC12CC
InChIInChI=1S/C22H36/c1-5-22-13-11-19-17(20(22)10-9-16(22)3)14-15(2)18-8-6-7-12-21(18,19)4/h15,17-20H,3,5-14H2,1-2,4H3
InChIKeyWMHZJRHVTLCJEY-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene 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 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
The IUPAC name of 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene (CID 91159612) is 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene is C=C1CCC2C3CC(C)C4CCCCC4(C)C3CCC12CC.
What is the InChIKey of 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
The InChIKey is WMHZJRHVTLCJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-5-22-13-11-19-17(20(22)10-9-16(22)3)14-15(2)18-8-6-7-12-21(18,19)4/h15,17-20H,3,5-14H2,1-2,4H3.
What are the key properties of 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene has a molecular weight of 300.53 g/mol, XLogP of 6.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-6,10-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 91159612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).