1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile

C15H27NO — CID 79132042

IUPAC1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCCC(O)C1(C#N)CCC(CCC)CC1
InChIInChI=1S/C15H27NO/c1-3-5-7-14(17)15(12-16)10-8-13(6-4-2)9-11-15/h13-14,17H,3-11H2,1-2H3
InChIKeyWDJCMVADYPMURL-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.04
Rot. Bonds6

About 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile

1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 79132042) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile
PubChem CID79132042
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCCC(O)C1(C#N)CCC(CCC)CC1
InChIInChI=1S/C15H27NO/c1-3-5-7-14(17)15(12-16)10-8-13(6-4-2)9-11-15/h13-14,17H,3-11H2,1-2H3
InChIKeyWDJCMVADYPMURL-UHFFFAOYSA-N
XLogP4.04
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile
CID 79131475
1-(1-hydroxypentyl)-3-methylcyclopentane-1-carbonitrile
CID 79131922
1-(1-hydroxy-2-phenylethyl)-4-propylcyclohexane-1-carbonitrile
CID 79131701
1-(1-hydroxyheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132594
1-(1-hydroxypentyl)-3-methylcyclohexane-1-carbonitrile
CID 79133044
1-[(4-bromophenyl)-hydroxymethyl]-4-propylcyclohexane-1-carbonitrile
CID 79136386
1-[(2-chlorophenyl)-hydroxymethyl]-4-propylcyclohexane-1-carbonitrile
CID 79137122
2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
CID 79133045
1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 79128792
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
1-(3-ethylsulfanyl-1-hydroxypropyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 116505112
3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile
CID 79136524

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile (CID 79132042) is 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile is CCCCC(O)C1(C#N)CCC(CCC)CC1.
What is the InChIKey of 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is WDJCMVADYPMURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-7-14(17)15(12-16)10-8-13(6-4-2)9-11-15/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile?
1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79132042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).