1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene

C28H48 — CID 144611644

IUPAC1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene
SMILESCC(C)CC1C2=CCC3C(C)(CCC4C(C)C(C)CCC43C)C2CCC1(C)C
InChIInChI=1S/C28H48/c1-18(2)17-24-21-9-10-25-27(7)15-11-19(3)20(4)22(27)13-16-28(25,8)23(21)12-14-26(24,5)6/h9,18-20,22-25H,10-17H2,1-8H3
InChIKeyXSDWPUIOIUUCSM-UHFFFAOYSA-N
MW384.69 g/mol
LogP8.52
Rot. Bonds2

About 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene

1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene (PubChem CID 144611644) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene.

Molecular Properties

Compound Name1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene
PubChem CID144611644
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene
SMILESCC(C)CC1C2=CCC3C(C)(CCC4C(C)C(C)CCC43C)C2CCC1(C)C
InChIInChI=1S/C28H48/c1-18(2)17-24-21-9-10-25-27(7)15-11-19(3)20(4)22(27)13-16-28(25,8)23(21)12-14-26(24,5)6/h9,18-20,22-25H,10-17H2,1-8H3
InChIKeyXSDWPUIOIUUCSM-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene?
The IUPAC name of 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene (CID 144611644) is 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene.
What is the SMILES notation for 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene?
The canonical SMILES for 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene is CC(C)CC1C2=CCC3C(C)(CCC4C(C)C(C)CCC43C)C2CCC1(C)C.
What is the InChIKey of 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene?
The InChIKey is XSDWPUIOIUUCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-18(2)17-24-21-9-10-25-27(7)15-11-19(3)20(4)22(27)13-16-28(25,8)23(21)12-14-26(24,5)6/h9,18-20,22-25H,10-17H2,1-8H3.
What are the key properties of 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene?
1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene has a molecular weight of 384.69 g/mol, XLogP of 8.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4a,8,8,10b-hexamethyl-7-(2-methylpropyl)-2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydro-1H-chrysene is sourced from PubChem (CID 144611644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).