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

C24H40 — CID 155733233

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

3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 155733233) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

• Compound Name: 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
• PubChem CID: 155733233
• Molecular Formula: C24H40
• Molecular Weight: 328.58 g/mol
• Exact Mass: 328.31
• IUPAC Name: 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
• SMILES: C=C(C)C1CC(C)C2C3CCC4(C)CC(C)CCC4C3CCC12C
• InChI: InChI=1S/C24H40/c1-15(2)21-13-17(4)22-19-9-11-23(5)14-16(3)7-8-20(23)18(19)10-12-24(21,22)6/h16-22H,1,7-14H2,2-6H3
• InChIKey: RQUHONOXSOUJRV-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	328.58
LogP ≤ 5	7.10
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 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?

The IUPAC name of 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (CID 155733233) is 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

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

The canonical SMILES for 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is C=C(C)C1CC(C)C2C3CCC4(C)CC(C)CCC4C3CCC12C.

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

The InChIKey is RQUHONOXSOUJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-15(2)21-13-17(4)22-19-9-11-23(5)14-16(3)7-8-20(23)18(19)10-12-24(21,22)6/h16-22H,1,7-14H2,2-6H3.

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

3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 328.58 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 155733233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).