2-butoxy-4-propylcyclohexane-1-carbonitrile

C14H25NO — CID 43292944

IUPAC2-butoxy-4-propylcyclohexane-1-carbonitrile
SMILESCCCCOC1CC(CCC)CCC1C#N
InChIInChI=1S/C14H25NO/c1-3-5-9-16-14-10-12(6-4-2)7-8-13(14)11-15/h12-14H,3-10H2,1-2H3
InChIKeyXQVUMKCZUSFQPM-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.91
Rot. Bonds6

About 2-butoxy-4-propylcyclohexane-1-carbonitrile

2-butoxy-4-propylcyclohexane-1-carbonitrile (PubChem CID 43292944) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-butoxy-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-butoxy-4-propylcyclohexane-1-carbonitrile
PubChem CID43292944
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-butoxy-4-propylcyclohexane-1-carbonitrile
SMILESCCCCOC1CC(CCC)CCC1C#N
InChIInChI=1S/C14H25NO/c1-3-5-9-16-14-10-12(6-4-2)7-8-13(14)11-15/h12-14H,3-10H2,1-2H3
InChIKeyXQVUMKCZUSFQPM-UHFFFAOYSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-pentoxycyclohexane-1-carbonitrile
CID 43292948
4-tert-butyl-2-hexoxycyclohexane-1-carbonitrile
CID 43292760
2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile
CID 43292305
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257
2-hexoxy-4-phenylcyclohexane-1-carbonitrile
CID 43292764
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol
CID 82957761
2-propoxycyclohexane-1-carbonitrile
CID 43292927
2-ethylsulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64691505
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
4-(2-methylbutan-2-yl)-2-(4-methylpentoxy)cyclohexane-1-carbonitrile
CID 43292743

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-butoxy-4-propylcyclohexane-1-carbonitrile (CID 43292944) is 2-butoxy-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-butoxy-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-butoxy-4-propylcyclohexane-1-carbonitrile is CCCCOC1CC(CCC)CCC1C#N.
What is the InChIKey of 2-butoxy-4-propylcyclohexane-1-carbonitrile?
The InChIKey is XQVUMKCZUSFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-9-16-14-10-12(6-4-2)7-8-13(14)11-15/h12-14H,3-10H2,1-2H3.
What are the key properties of 2-butoxy-4-propylcyclohexane-1-carbonitrile?
2-butoxy-4-propylcyclohexane-1-carbonitrile has a molecular weight of 223.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43292944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).