1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane

C20H38 — CID 140808329

IUPAC1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane
SMILESCCC(C)(CC(C)C1CCCCC1)C1CCC(C)CC1
InChIInChI=1S/C20H38/c1-5-20(4,19-13-11-16(2)12-14-19)15-17(3)18-9-7-6-8-10-18/h16-19H,5-15H2,1-4H3
InChIKeyXLALXDZHYPHZTF-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.84
Rot. Bonds5

About 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane

1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane (PubChem CID 140808329) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane
PubChem CID140808329
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane
SMILESCCC(C)(CC(C)C1CCCCC1)C1CCC(C)CC1
InChIInChI=1S/C20H38/c1-5-20(4,19-13-11-16(2)12-14-19)15-17(3)18-9-7-6-8-10-18/h16-19H,5-15H2,1-4H3
InChIKeyXLALXDZHYPHZTF-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylpentan-3-ylcycloundecane
CID 123467319
(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane
CID 90927036
butan-2-ylcyclohexadecane
CID 123713671
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-butan-2-yl-4-methylcyclohexane
CID 20676481
butan-2-ylcyclohexane;ethane
CID 143005290
butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclohexane;heptane
CID 143477095
4-cyclohexyl-1,1,1,2-tetrafluoropentan-2-ol
CID 59760753
7-cyclohexyloctan-4-ol
CID 66612590
1-methyl-5-(5-methylundecan-2-yl)cyclododecane
CID 123940441

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane?
The IUPAC name of 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane (CID 140808329) is 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane is CCC(C)(CC(C)C1CCCCC1)C1CCC(C)CC1.
What is the InChIKey of 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane?
The InChIKey is XLALXDZHYPHZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-5-20(4,19-13-11-16(2)12-14-19)15-17(3)18-9-7-6-8-10-18/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane?
1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-3-methylhexan-3-yl)-4-methylcyclohexane is sourced from PubChem (CID 140808329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).