10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen

C23H42 — CID 145168944

About 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen

10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen (PubChem CID 145168944) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen.

Molecular Properties

• Compound Name: 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen
• PubChem CID: 145168944
• Molecular Formula: C23H42
• Molecular Weight: 318.59 g/mol
• Exact Mass: 318.33
• IUPAC Name: 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen
• SMILES: C.C=C(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C.[H][H]
• InChI: InChI=1S/C22H36.CH4.H2/c1-15(2)18-10-11-19-17-9-8-16-7-5-6-13-21(16,3)20(17)12-14-22(18,19)4;;/h16-20H,1,5-14H2,2-4H3;1H4;1H
• InChIKey: HYJREAFWDMEFAX-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	318.59
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen?

The IUPAC name of 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen (CID 145168944) is 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen.

What is the SMILES notation for 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen?

The canonical SMILES for 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen is C.C=C(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C.[H][H].

What is the InChIKey of 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen?

The InChIKey is HYJREAFWDMEFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36.CH4.H2/c1-15(2)18-10-11-19-17-9-8-16-7-5-6-13-21(16,3)20(17)12-14-22(18,19)4;;/h16-20H,1,5-14H2,2-4H3;1H4;1H.

What are the key properties of 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen?

10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen has a molecular weight of 318.59 g/mol, XLogP of 7.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen is sourced from PubChem (CID 145168944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).