3-(1-hydroxyethyl)nonanenitrile

C11H21NO — CID 123358781

IUPAC3-(1-hydroxyethyl)nonanenitrile
SMILESCCCCCCC(CC#N)C(C)O
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-11(8-9-12)10(2)13/h10-11,13H,3-8H2,1-2H3
InChIKeyOKAXICYBENCJHH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.87
Rot. Bonds7

About 3-(1-hydroxyethyl)nonanenitrile

3-(1-hydroxyethyl)nonanenitrile (PubChem CID 123358781) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)nonanenitrile.

Molecular Properties

Compound Name3-(1-hydroxyethyl)nonanenitrile
PubChem CID123358781
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(1-hydroxyethyl)nonanenitrile
SMILESCCCCCCC(CC#N)C(C)O
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-11(8-9-12)10(2)13/h10-11,13H,3-8H2,1-2H3
InChIKeyOKAXICYBENCJHH-UHFFFAOYSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.87
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 3-(1-hydroxyethyl)nonanenitrile?
The IUPAC name of 3-(1-hydroxyethyl)nonanenitrile (CID 123358781) is 3-(1-hydroxyethyl)nonanenitrile.
What is the SMILES notation for 3-(1-hydroxyethyl)nonanenitrile?
The canonical SMILES for 3-(1-hydroxyethyl)nonanenitrile is CCCCCCC(CC#N)C(C)O.
What is the InChIKey of 3-(1-hydroxyethyl)nonanenitrile?
The InChIKey is OKAXICYBENCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-11(8-9-12)10(2)13/h10-11,13H,3-8H2,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)nonanenitrile?
3-(1-hydroxyethyl)nonanenitrile has a molecular weight of 183.29 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)nonanenitrile is sourced from PubChem (CID 123358781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).