5-methoxypentylcyclohexane

C12H24O — CID 54110901

IUPAC5-methoxypentylcyclohexane
SMILESCOCCCCCC1CCCCC1
InChIInChI=1S/C12H24O/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h12H,2-11H2,1H3
InChIKeyDKFDIKHGJVDUGO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds6

About 5-methoxypentylcyclohexane

5-methoxypentylcyclohexane (PubChem CID 54110901) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-methoxypentylcyclohexane.

Molecular Properties

Compound Name5-methoxypentylcyclohexane
PubChem CID54110901
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-methoxypentylcyclohexane
SMILESCOCCCCCC1CCCCC1
InChIInChI=1S/C12H24O/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h12H,2-11H2,1H3
InChIKeyDKFDIKHGJVDUGO-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypentylcyclohexane?
The IUPAC name of 5-methoxypentylcyclohexane (CID 54110901) is 5-methoxypentylcyclohexane.
What is the SMILES notation for 5-methoxypentylcyclohexane?
The canonical SMILES for 5-methoxypentylcyclohexane is COCCCCCC1CCCCC1.
What is the InChIKey of 5-methoxypentylcyclohexane?
The InChIKey is DKFDIKHGJVDUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h12H,2-11H2,1H3.
What are the key properties of 5-methoxypentylcyclohexane?
5-methoxypentylcyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypentylcyclohexane is sourced from PubChem (CID 54110901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).