1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile

C14H23NO2 — CID 80603437

IUPAC1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(C2(O)CCCOC2)CCCCCCC1
InChIInChI=1S/C14H23NO2/c15-11-13(7-4-2-1-3-5-8-13)14(16)9-6-10-17-12-14/h16H,1-10,12H2
InChIKeyYKUQDUDKCMFNAH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.78
Rot. Bonds1

About 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile

1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile (PubChem CID 80603437) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
PubChem CID80603437
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
SMILESN#CC1(C2(O)CCCOC2)CCCCCCC1
InChIInChI=1S/C14H23NO2/c15-11-13(7-4-2-1-3-5-8-13)14(16)9-6-10-17-12-14/h16H,1-10,12H2
InChIKeyYKUQDUDKCMFNAH-UHFFFAOYSA-N
XLogP2.78
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile (CID 80603437) is 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile is N#CC1(C2(O)CCCOC2)CCCCCCC1.
What is the InChIKey of 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile?
The InChIKey is YKUQDUDKCMFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c15-11-13(7-4-2-1-3-5-8-13)14(16)9-6-10-17-12-14/h16H,1-10,12H2.
What are the key properties of 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile?
1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile has a molecular weight of 237.34 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile is sourced from PubChem (CID 80603437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).