1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile

C19H33NO — CID 79123861

IUPAC1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
SMILESCCCC1CCCC(O)(C2(C#N)CCC(C)(C)CC2)CC1
InChIInChI=1S/C19H33NO/c1-4-6-16-7-5-9-19(21,10-8-16)18(15-20)13-11-17(2,3)12-14-18/h16,21H,4-14H2,1-3H3
InChIKeyFZFVIAZNNQSEEA-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.21
Rot. Bonds3

About 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile

1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile (PubChem CID 79123861) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
PubChem CID79123861
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
SMILESCCCC1CCCC(O)(C2(C#N)CCC(C)(C)CC2)CC1
InChIInChI=1S/C19H33NO/c1-4-6-16-7-5-9-19(21,10-8-16)18(15-20)13-11-17(2,3)12-14-18/h16,21H,4-14H2,1-3H3
InChIKeyFZFVIAZNNQSEEA-UHFFFAOYSA-N
XLogP5.21
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
1-(4-hydroxyoxepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 79128935
1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
CID 79126868
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
1-(1-hydroxy-2,3-dimethylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79131967
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile (CID 79123861) is 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile is CCCC1CCCC(O)(C2(C#N)CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile?
The InChIKey is FZFVIAZNNQSEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-6-16-7-5-9-19(21,10-8-16)18(15-20)13-11-17(2,3)12-14-18/h16,21H,4-14H2,1-3H3.
What are the key properties of 1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile?
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile has a molecular weight of 291.48 g/mol, XLogP of 5.21, 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-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79123861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).