1-butan-2-yl-4-methylcyclohexane

C11H22 — CID 20676481

IUPAC1-butan-2-yl-4-methylcyclohexane
SMILESCCC(C)C1CCC(C)CC1
InChIInChI=1S/C11H22/c1-4-10(3)11-7-5-9(2)6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyKZAAIYZZIULSFY-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds2

About 1-butan-2-yl-4-methylcyclohexane

1-butan-2-yl-4-methylcyclohexane (PubChem CID 20676481) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-butan-2-yl-4-methylcyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-4-methylcyclohexane
PubChem CID20676481
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-butan-2-yl-4-methylcyclohexane
SMILESCCC(C)C1CCC(C)CC1
InChIInChI=1S/C11H22/c1-4-10(3)11-7-5-9(2)6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyKZAAIYZZIULSFY-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Butylcyclohexane
CID 15506
1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
Bicyclohexyl
CID 7094
Pentylcyclohexane
CID 20284
Propylcyclohexane
CID 15505
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
Cyclohexane, cyclopropyl-
CID 141725
1,4-Dimethylcyclohexane
CID 11523
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methylcyclohexane?
The IUPAC name of 1-butan-2-yl-4-methylcyclohexane (CID 20676481) is 1-butan-2-yl-4-methylcyclohexane.
What is the SMILES notation for 1-butan-2-yl-4-methylcyclohexane?
The canonical SMILES for 1-butan-2-yl-4-methylcyclohexane is CCC(C)C1CCC(C)CC1.
What is the InChIKey of 1-butan-2-yl-4-methylcyclohexane?
The InChIKey is KZAAIYZZIULSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-10(3)11-7-5-9(2)6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-methylcyclohexane?
1-butan-2-yl-4-methylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methylcyclohexane is sourced from PubChem (CID 20676481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).