1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile

C16H27NO — CID 79130574

IUPAC1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCCCC1CCC(O)(C2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27NO/c1-2-6-14-7-11-16(18,12-8-14)15(13-17)9-4-3-5-10-15/h14,18H,2-12H2,1H3
InChIKeyFAOHXPFZNALJOQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.18
Rot. Bonds3

About 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile

1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile (PubChem CID 79130574) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
PubChem CID79130574
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCCCC1CCC(O)(C2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27NO/c1-2-6-14-7-11-16(18,12-8-14)15(13-17)9-4-3-5-10-15/h14,18H,2-12H2,1H3
InChIKeyFAOHXPFZNALJOQ-UHFFFAOYSA-N
XLogP4.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79123861
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
1-(4-hydroxyoxepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 79128935
1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
CID 79126868
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-(2-ethyl-1-hydroxycyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79132964
1-(4-tert-butyl-1-hydroxycycloheptyl)cycloheptane-1-carbonitrile
CID 79124063
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile (CID 79130574) is 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile is CCCC1CCC(O)(C2(C#N)CCCCC2)CC1.
What is the InChIKey of 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile?
The InChIKey is FAOHXPFZNALJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-6-14-7-11-16(18,12-8-14)15(13-17)9-4-3-5-10-15/h14,18H,2-12H2,1H3.
What are the key properties of 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile?
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79130574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).