methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene

C32H56O3 — CID 142337157

About methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene

methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene (PubChem CID 142337157) has the molecular formula C32H56O3 and a molecular weight of 488.80 g/mol. Its IUPAC name is methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene.

Molecular Properties

• Compound Name: methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene
• PubChem CID: 142337157
• Molecular Formula: C32H56O3
• Molecular Weight: 488.80 g/mol
• Exact Mass: 488.42
• IUPAC Name: methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene
• SMILES: C.C=CC.COC(=O)C12CCCC1C1CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)[C@]1(C)CC2
• InChI: InChI=1S/C28H46O3.C3H6.CH4/c1-24(2)20-11-15-27(5)21(25(20,3)14-12-22(24)29)10-9-18-19-8-7-13-28(19,23(30)31-6)17-16-26(18,27)4;1-3-2;/h18-22,29H,7-17H2,1-6H3;3H,1H2,2H3;1H4/t18?,19?,20?,21?,22?,25?,26-,27?,28?;;/m1../s1
• InChIKey: YFXCKGSTVABTIC-RYDJWWEZSA-N
• XLogP: 8.20
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.80
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene?

The IUPAC name of methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene (CID 142337157) is methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene.

What is the SMILES notation for methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene?

The canonical SMILES for methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene is C.C=CC.COC(=O)C12CCCC1C1CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)[C@]1(C)CC2.

What is the InChIKey of methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene?

The InChIKey is YFXCKGSTVABTIC-RYDJWWEZSA-N. The full InChI is InChI=1S/C28H46O3.C3H6.CH4/c1-24(2)20-11-15-27(5)21(25(20,3)14-12-22(24)29)10-9-18-19-8-7-13-28(19,23(30)31-6)17-16-26(18,27)4;1-3-2;/h18-22,29H,7-17H2,1-6H3;3H,1H2,2H3;1H4/t18?,19?,20?,21?,22?,25?,26-,27?,28?;;/m1../s1.

What are the key properties of methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene?

methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene has a molecular weight of 488.80 g/mol, XLogP of 8.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl (5aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate;prop-1-ene is sourced from PubChem (CID 142337157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).