3-methylpentylcyclohexane

C12H24 — CID 557854

IUPAC3-methylpentylcyclohexane
SMILESCCC(C)CCC1CCCCC1
InChIInChI=1S/C12H24/c1-3-11(2)9-10-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyXYKJVHTUQQONLW-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds4

About 3-methylpentylcyclohexane

3-methylpentylcyclohexane (PubChem CID 557854) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3-methylpentylcyclohexane.

Molecular Properties

Compound Name3-methylpentylcyclohexane
PubChem CID557854
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3-methylpentylcyclohexane
SMILESCCC(C)CCC1CCCCC1
InChIInChI=1S/C12H24/c1-3-11(2)9-10-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyXYKJVHTUQQONLW-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentylcyclohexane?
The IUPAC name of 3-methylpentylcyclohexane (CID 557854) is 3-methylpentylcyclohexane.
What is the SMILES notation for 3-methylpentylcyclohexane?
The canonical SMILES for 3-methylpentylcyclohexane is CCC(C)CCC1CCCCC1.
What is the InChIKey of 3-methylpentylcyclohexane?
The InChIKey is XYKJVHTUQQONLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-3-11(2)9-10-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-methylpentylcyclohexane?
3-methylpentylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentylcyclohexane is sourced from PubChem (CID 557854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).