(E)-11-hydroxyundec-9-enenitrile

C11H19NO — CID 139463269

IUPAC(E)-11-hydroxyundec-9-enenitrile
SMILESN#CCCCCCCC/C=C/CO
InChIInChI=1S/C11H19NO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h7,9,13H,1-6,8,11H2/b9-7+
InChIKeyBNQYEHXWXASQIW-VQHVLOKHSA-N
MW181.28 g/mol
LogP2.79
Rot. Bonds8

About (E)-11-hydroxyundec-9-enenitrile

(E)-11-hydroxyundec-9-enenitrile (PubChem CID 139463269) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-11-hydroxyundec-9-enenitrile.

Molecular Properties

Compound Name(E)-11-hydroxyundec-9-enenitrile
PubChem CID139463269
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-11-hydroxyundec-9-enenitrile
SMILESN#CCCCCCCC/C=C/CO
InChIInChI=1S/C11H19NO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h7,9,13H,1-6,8,11H2/b9-7+
InChIKeyBNQYEHXWXASQIW-VQHVLOKHSA-N
XLogP2.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.79
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 (E)-11-hydroxyundec-9-enenitrile?
The IUPAC name of (E)-11-hydroxyundec-9-enenitrile (CID 139463269) is (E)-11-hydroxyundec-9-enenitrile.
What is the SMILES notation for (E)-11-hydroxyundec-9-enenitrile?
The canonical SMILES for (E)-11-hydroxyundec-9-enenitrile is N#CCCCCCCC/C=C/CO.
What is the InChIKey of (E)-11-hydroxyundec-9-enenitrile?
The InChIKey is BNQYEHXWXASQIW-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H19NO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h7,9,13H,1-6,8,11H2/b9-7+.
What are the key properties of (E)-11-hydroxyundec-9-enenitrile?
(E)-11-hydroxyundec-9-enenitrile has a molecular weight of 181.28 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-hydroxyundec-9-enenitrile is sourced from PubChem (CID 139463269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).