7-(1-hydroxycyclohexyl)heptanenitrile

C13H23NO — CID 70140318

IUPAC7-(1-hydroxycyclohexyl)heptanenitrile
SMILESN#CCCCCCCC1(O)CCCCC1
InChIInChI=1S/C13H23NO/c14-12-8-3-1-2-5-9-13(15)10-6-4-7-11-13/h15H,1-11H2
InChIKeyHMZQDAWTUFLUDA-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.55
Rot. Bonds6

About 7-(1-hydroxycyclohexyl)heptanenitrile

7-(1-hydroxycyclohexyl)heptanenitrile (PubChem CID 70140318) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7-(1-hydroxycyclohexyl)heptanenitrile.

Molecular Properties

Compound Name7-(1-hydroxycyclohexyl)heptanenitrile
PubChem CID70140318
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7-(1-hydroxycyclohexyl)heptanenitrile
SMILESN#CCCCCCCC1(O)CCCCC1
InChIInChI=1S/C13H23NO/c14-12-8-3-1-2-5-9-13(15)10-6-4-7-11-13/h15H,1-11H2
InChIKeyHMZQDAWTUFLUDA-UHFFFAOYSA-N
XLogP3.55
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxycyclohexyl)heptanenitrile?
The IUPAC name of 7-(1-hydroxycyclohexyl)heptanenitrile (CID 70140318) is 7-(1-hydroxycyclohexyl)heptanenitrile.
What is the SMILES notation for 7-(1-hydroxycyclohexyl)heptanenitrile?
The canonical SMILES for 7-(1-hydroxycyclohexyl)heptanenitrile is N#CCCCCCCC1(O)CCCCC1.
What is the InChIKey of 7-(1-hydroxycyclohexyl)heptanenitrile?
The InChIKey is HMZQDAWTUFLUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-12-8-3-1-2-5-9-13(15)10-6-4-7-11-13/h15H,1-11H2.
What are the key properties of 7-(1-hydroxycyclohexyl)heptanenitrile?
7-(1-hydroxycyclohexyl)heptanenitrile has a molecular weight of 209.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxycyclohexyl)heptanenitrile is sourced from PubChem (CID 70140318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).