8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane

C24H44 — CID 123480444

IUPAC8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane
SMILESCCC1(C)CCC(C(C)C(C)C)C(CC2CC3CCC(C)CC32)C1
InChIInChI=1S/C24H44/c1-7-24(6)11-10-22(18(5)16(2)3)21(15-24)14-20-13-19-9-8-17(4)12-23(19)20/h16-23H,7-15H2,1-6H3
InChIKeyJFPAIZVLYNWWHA-UHFFFAOYSA-N
MW332.62 g/mol
LogP7.57
Rot. Bonds5

About 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane

8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane (PubChem CID 123480444) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane.

Molecular Properties

Compound Name8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane
PubChem CID123480444
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane
SMILESCCC1(C)CCC(C(C)C(C)C)C(CC2CC3CCC(C)CC32)C1
InChIInChI=1S/C24H44/c1-7-24(6)11-10-22(18(5)16(2)3)21(15-24)14-20-13-19-9-8-17(4)12-23(19)20/h16-23H,7-15H2,1-6H3
InChIKeyJFPAIZVLYNWWHA-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane?
The IUPAC name of 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane (CID 123480444) is 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane.
What is the SMILES notation for 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane?
The canonical SMILES for 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane is CCC1(C)CCC(C(C)C(C)C)C(CC2CC3CCC(C)CC32)C1.
What is the InChIKey of 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane?
The InChIKey is JFPAIZVLYNWWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-7-24(6)11-10-22(18(5)16(2)3)21(15-24)14-20-13-19-9-8-17(4)12-23(19)20/h16-23H,7-15H2,1-6H3.
What are the key properties of 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane?
8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane has a molecular weight of 332.62 g/mol, XLogP of 7.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-ethyl-5-methyl-2-(3-methylbutan-2-yl)cyclohexyl]methyl]-3-methylbicyclo[4.2.0]octane is sourced from PubChem (CID 123480444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).