(E)-2-(hydroxymethyl)oct-2-enenitrile

C9H15NO — CID 10773165

IUPAC(E)-2-(hydroxymethyl)oct-2-enenitrile
SMILESCCCCC/C=C(\C#N)CO
InChIInChI=1S/C9H15NO/c1-2-3-4-5-6-9(7-10)8-11/h6,11H,2-5,8H2,1H3/b9-6+
InChIKeyQUGWQIJWDXXLGI-RMKNXTFCSA-N
MW153.22 g/mol
LogP2.01
Rot. Bonds5

About (E)-2-(hydroxymethyl)oct-2-enenitrile

(E)-2-(hydroxymethyl)oct-2-enenitrile (PubChem CID 10773165) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-2-(hydroxymethyl)oct-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(hydroxymethyl)oct-2-enenitrile
PubChem CID10773165
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-2-(hydroxymethyl)oct-2-enenitrile
SMILESCCCCC/C=C(\C#N)CO
InChIInChI=1S/C9H15NO/c1-2-3-4-5-6-9(7-10)8-11/h6,11H,2-5,8H2,1H3/b9-6+
InChIKeyQUGWQIJWDXXLGI-RMKNXTFCSA-N
XLogP2.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-hydroxy-5,9-dimethyl-2-methylidenedeca-4,8-dienenitrile
CID 15520855
(E,2S)-2-hydroxynon-3-enenitrile
CID 10855671
(2R,3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 11964173
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
(E)-2-hydroxynon-3-enenitrile
CID 101501693
(Z)-3-ethyl-4-hydroxyhept-2-enenitrile
CID 134890167
(2Z)-2-(2-hydroxyethylidene)decanenitrile
CID 135049668
(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile
CID 135049736
(E)-3-hydroxy-2-methylidenehex-4-enenitrile
CID 10080399
(E)-2-(hydroxymethyl)pent-2-enenitrile
CID 10877073
(E)-2-(hydroxymethyl)hex-2-enenitrile
CID 10975485
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
CID 10975836

Frequently Asked Questions

What is the IUPAC name of (E)-2-(hydroxymethyl)oct-2-enenitrile?
The IUPAC name of (E)-2-(hydroxymethyl)oct-2-enenitrile (CID 10773165) is (E)-2-(hydroxymethyl)oct-2-enenitrile.
What is the SMILES notation for (E)-2-(hydroxymethyl)oct-2-enenitrile?
The canonical SMILES for (E)-2-(hydroxymethyl)oct-2-enenitrile is CCCCC/C=C(\C#N)CO.
What is the InChIKey of (E)-2-(hydroxymethyl)oct-2-enenitrile?
The InChIKey is QUGWQIJWDXXLGI-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-5-6-9(7-10)8-11/h6,11H,2-5,8H2,1H3/b9-6+.
What are the key properties of (E)-2-(hydroxymethyl)oct-2-enenitrile?
(E)-2-(hydroxymethyl)oct-2-enenitrile has a molecular weight of 153.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(hydroxymethyl)oct-2-enenitrile is sourced from PubChem (CID 10773165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).