1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol

C30H54O — CID 610270

IUPAC1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol
SMILESCC(C)CCCC1(C)CCC2(C)C(CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1
InChIInChI=1S/C30H54O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h21-25,31H,9-20H2,1-8H3
InChIKeyQVMYVMAZODTVEI-UHFFFAOYSA-N
MW430.76 g/mol
LogP8.64
Rot. Bonds4

About 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol

1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol (PubChem CID 610270) has the molecular formula C30H54O and a molecular weight of 430.76 g/mol. Its IUPAC name is 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol.

Molecular Properties

Compound Name1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol
PubChem CID610270
Molecular FormulaC30H54O
Molecular Weight430.76 g/mol
Exact Mass430.42
IUPAC Name1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol
SMILESCC(C)CCCC1(C)CCC2(C)C(CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1
InChIInChI=1S/C30H54O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h21-25,31H,9-20H2,1-8H3
InChIKeyQVMYVMAZODTVEI-UHFFFAOYSA-N
XLogP8.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol?
The IUPAC name of 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol (CID 610270) is 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol.
What is the SMILES notation for 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol?
The canonical SMILES for 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol is CC(C)CCCC1(C)CCC2(C)C(CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C1.
What is the InChIKey of 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol?
The InChIKey is QVMYVMAZODTVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h21-25,31H,9-20H2,1-8H3.
What are the key properties of 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol?
1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol has a molecular weight of 430.76 g/mol, XLogP of 8.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpentyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-ol is sourced from PubChem (CID 610270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).