3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane

C32H60O2 — CID 143563743

About 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane

3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane (PubChem CID 143563743) has the molecular formula C32H60O2 and a molecular weight of 476.83 g/mol. Its IUPAC name is 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane.

Molecular Properties

• Compound Name: 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane
• PubChem CID: 143563743
• Molecular Formula: C32H60O2
• Molecular Weight: 476.83 g/mol
• Exact Mass: 476.46
• IUPAC Name: 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane
• SMILES: CC.CC1CCC2(CO)CCC3C(CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C12.CCC
• InChI: InChI=1S/C27H46O2.C3H8.C2H6/c1-17-8-14-27(16-28)15-9-19-18(23(17)27)6-7-21-25(19,4)12-10-20-24(2,3)22(29)11-13-26(20,21)5;1-3-2;1-2/h17-23,28-29H,6-16H2,1-5H3;3H2,1-2H3;1-2H3
• InChIKey: XDIMKFBJUFMMIX-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.83
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane?

The IUPAC name of 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane (CID 143563743) is 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane.

What is the SMILES notation for 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane?

The canonical SMILES for 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane is CC.CC1CCC2(CO)CCC3C(CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C12.CCC.

What is the InChIKey of 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane?

The InChIKey is XDIMKFBJUFMMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O2.C3H8.C2H6/c1-17-8-14-27(16-28)15-9-19-18(23(17)27)6-7-21-25(19,4)12-10-20-24(2,3)22(29)11-13-26(20,21)5;1-3-2;1-2/h17-23,28-29H,6-16H2,1-5H3;3H2,1-2H3;1-2H3.

What are the key properties of 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane?

3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane has a molecular weight of 476.83 g/mol, XLogP of 8.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3a-(hydroxymethyl)-1,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;ethane;propane is sourced from PubChem (CID 143563743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).