1-methyl-4-(2-methylbutan-2-yl)cyclohexane

C12H24 — CID 18711330

IUPAC1-methyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)C1CCC(C)CC1
InChIInChI=1S/C12H24/c1-5-12(3,4)11-8-6-10(2)7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyQVHPHYBVFOGZHF-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds2

About 1-methyl-4-(2-methylbutan-2-yl)cyclohexane

1-methyl-4-(2-methylbutan-2-yl)cyclohexane (PubChem CID 18711330) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-methyl-4-(2-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(2-methylbutan-2-yl)cyclohexane
PubChem CID18711330
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-methyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCC(C)(C)C1CCC(C)CC1
InChIInChI=1S/C12H24/c1-5-12(3,4)11-8-6-10(2)7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyQVHPHYBVFOGZHF-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
The IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)cyclohexane (CID 18711330) is 1-methyl-4-(2-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-4-(2-methylbutan-2-yl)cyclohexane is CCC(C)(C)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
The InChIKey is QVHPHYBVFOGZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-12(3,4)11-8-6-10(2)7-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
1-methyl-4-(2-methylbutan-2-yl)cyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 18711330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).