2-ethenyl-3-hydroxydecanenitrile

C12H21NO — CID 139260474

IUPAC2-ethenyl-3-hydroxydecanenitrile
SMILESC=CC(C#N)C(O)CCCCCCC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-9-12(14)11(4-2)10-13/h4,11-12,14H,2-3,5-9H2,1H3
InChIKeyVIKJNIRIUSWJGI-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.03
Rot. Bonds8

About 2-ethenyl-3-hydroxydecanenitrile

2-ethenyl-3-hydroxydecanenitrile (PubChem CID 139260474) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethenyl-3-hydroxydecanenitrile.

Molecular Properties

Compound Name2-ethenyl-3-hydroxydecanenitrile
PubChem CID139260474
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-ethenyl-3-hydroxydecanenitrile
SMILESC=CC(C#N)C(O)CCCCCCC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-9-12(14)11(4-2)10-13/h4,11-12,14H,2-3,5-9H2,1H3
InChIKeyVIKJNIRIUSWJGI-UHFFFAOYSA-N
XLogP3.03
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-hydroxydecanenitrile?
The IUPAC name of 2-ethenyl-3-hydroxydecanenitrile (CID 139260474) is 2-ethenyl-3-hydroxydecanenitrile.
What is the SMILES notation for 2-ethenyl-3-hydroxydecanenitrile?
The canonical SMILES for 2-ethenyl-3-hydroxydecanenitrile is C=CC(C#N)C(O)CCCCCCC.
What is the InChIKey of 2-ethenyl-3-hydroxydecanenitrile?
The InChIKey is VIKJNIRIUSWJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-7-8-9-12(14)11(4-2)10-13/h4,11-12,14H,2-3,5-9H2,1H3.
What are the key properties of 2-ethenyl-3-hydroxydecanenitrile?
2-ethenyl-3-hydroxydecanenitrile has a molecular weight of 195.31 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-hydroxydecanenitrile is sourced from PubChem (CID 139260474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).