(8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol

C32H54O — CID 91145951

About (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol

(8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol (PubChem CID 91145951) has the molecular formula C32H54O and a molecular weight of 454.78 g/mol. Its IUPAC name is (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol.

Molecular Properties

• Compound Name: (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol
• PubChem CID: 91145951
• Molecular Formula: C32H54O
• Molecular Weight: 454.78 g/mol
• Exact Mass: 454.42
• IUPAC Name: (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol
• SMILES: C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(C)C(C)(CC)C5CCC43C)C12
• InChI: InChI=1S/C32H54O/c1-9-28(5)22(4)12-15-29(6)25(28)14-16-31(8)26(29)11-10-24-27-23(21(2)3)13-17-32(27,20-33)19-18-30(24,31)7/h22-27,33H,2,9-20H2,1,3-8H3
• InChIKey: FTENCPPJVBVZAI-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.78
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol?

The IUPAC name of (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol (CID 91145951) is (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol.

What is the SMILES notation for (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol?

The canonical SMILES for (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol is C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(C)C(C)(CC)C5CCC43C)C12.

What is the InChIKey of (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol?

The InChIKey is FTENCPPJVBVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O/c1-9-28(5)22(4)12-15-29(6)25(28)14-16-31(8)26(29)11-10-24-27-23(21(2)3)13-17-32(27,20-33)19-18-30(24,31)7/h22-27,33H,2,9-20H2,1,3-8H3.

What are the key properties of (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol?

(8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol has a molecular weight of 454.78 g/mol, XLogP of 8.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (8-ethyl-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol is sourced from PubChem (CID 91145951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).