2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol

C34H64O — CID 145154047

About 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol

2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol (PubChem CID 145154047) has the molecular formula C34H64O and a molecular weight of 488.89 g/mol. Its IUPAC name is 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol.

Molecular Properties

• Compound Name: 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol
• PubChem CID: 145154047
• Molecular Formula: C34H64O
• Molecular Weight: 488.89 g/mol
• Exact Mass: 488.50
• IUPAC Name: 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol
• SMILES: C=C(O)CCC(C)C1CCC2C3C(C)CC4CC(C)CCC4(C)C3CCC12C.CC(C)C.CCC
• InChI: InChI=1S/C27H46O.C4H10.C3H8/c1-17-11-13-26(5)21(15-17)16-19(3)25-23-10-9-22(18(2)7-8-20(4)28)27(23,6)14-12-24(25)26;1-4(2)3;1-3-2/h17-19,21-25,28H,4,7-16H2,1-3,5-6H3;4H,1-3H3;3H2,1-2H3
• InChIKey: RTGSWRGQBPTGLN-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.89
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol?

The IUPAC name of 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol (CID 145154047) is 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol.

What is the SMILES notation for 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol?

The canonical SMILES for 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol is C=C(O)CCC(C)C1CCC2C3C(C)CC4CC(C)CCC4(C)C3CCC12C.CC(C)C.CCC.

What is the InChIKey of 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol?

The InChIKey is RTGSWRGQBPTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O.C4H10.C3H8/c1-17-11-13-26(5)21(15-17)16-19(3)25-23-10-9-22(18(2)7-8-20(4)28)27(23,6)14-12-24(25)26;1-4(2)3;1-3-2/h17-19,21-25,28H,4,7-16H2,1-3,5-6H3;4H,1-3H3;3H2,1-2H3.

What are the key properties of 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol?

2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol has a molecular weight of 488.89 g/mol, XLogP of 11.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol is sourced from PubChem (CID 145154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).