1-methyl-4-pentan-2-ylcyclohexane

C12H24 — CID 544185

IUPAC1-methyl-4-pentan-2-ylcyclohexane
SMILESCCCC(C)C1CCC(C)CC1
InChIInChI=1S/C12H24/c1-4-5-11(3)12-8-6-10(2)7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyHAYJDNGTQSBRDR-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds3

About 1-methyl-4-pentan-2-ylcyclohexane

1-methyl-4-pentan-2-ylcyclohexane (PubChem CID 544185) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-methyl-4-pentan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-4-pentan-2-ylcyclohexane
PubChem CID544185
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-methyl-4-pentan-2-ylcyclohexane
SMILESCCCC(C)C1CCC(C)CC1
InChIInChI=1S/C12H24/c1-4-5-11(3)12-8-6-10(2)7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyHAYJDNGTQSBRDR-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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-pentan-2-ylcyclohexane?
The IUPAC name of 1-methyl-4-pentan-2-ylcyclohexane (CID 544185) is 1-methyl-4-pentan-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-4-pentan-2-ylcyclohexane?
The canonical SMILES for 1-methyl-4-pentan-2-ylcyclohexane is CCCC(C)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-pentan-2-ylcyclohexane?
The InChIKey is HAYJDNGTQSBRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-5-11(3)12-8-6-10(2)7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-pentan-2-ylcyclohexane?
1-methyl-4-pentan-2-ylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pentan-2-ylcyclohexane is sourced from PubChem (CID 544185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).