(2Z)-2-(2-hydroxyethylidene)decanenitrile

C12H21NO — CID 135049668

IUPAC(2Z)-2-(2-hydroxyethylidene)decanenitrile
SMILESCCCCCCCC/C(C#N)=C/CO
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-12(11-13)9-10-14/h9,14H,2-8,10H2,1H3/b12-9-
InChIKeyGEMVEBBHHBHKHC-XFXZXTDPSA-N
MW195.31 g/mol
LogP3.18
Rot. Bonds8

About (2Z)-2-(2-hydroxyethylidene)decanenitrile

(2Z)-2-(2-hydroxyethylidene)decanenitrile (PubChem CID 135049668) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z)-2-(2-hydroxyethylidene)decanenitrile.

Molecular Properties

Compound Name(2Z)-2-(2-hydroxyethylidene)decanenitrile
PubChem CID135049668
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z)-2-(2-hydroxyethylidene)decanenitrile
SMILESCCCCCCCC/C(C#N)=C/CO
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-12(11-13)9-10-14/h9,14H,2-8,10H2,1H3/b12-9-
InChIKeyGEMVEBBHHBHKHC-XFXZXTDPSA-N
XLogP3.18
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 ≤ 53.18
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
(2R,3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 11964173
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile
CID 135049736
(2E)-2-ethylidene-3-hydroxydecanenitrile
CID 139260477
(E)-2-(hydroxymethyl)oct-2-enenitrile
CID 10773165
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 46201126
2-Hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 73155106
(2Z)-3-hydroxy-2-propylideneheptanenitrile
CID 89410987
(Z)-2-ethyl-4-hydroxybut-2-enenitrile
CID 118052456
(Z)-11-hydroxyundec-9-enenitrile
CID 134381641
(E)-11-hydroxyundec-9-enenitrile
CID 139463269

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-hydroxyethylidene)decanenitrile?
The IUPAC name of (2Z)-2-(2-hydroxyethylidene)decanenitrile (CID 135049668) is (2Z)-2-(2-hydroxyethylidene)decanenitrile.
What is the SMILES notation for (2Z)-2-(2-hydroxyethylidene)decanenitrile?
The canonical SMILES for (2Z)-2-(2-hydroxyethylidene)decanenitrile is CCCCCCCC/C(C#N)=C/CO.
What is the InChIKey of (2Z)-2-(2-hydroxyethylidene)decanenitrile?
The InChIKey is GEMVEBBHHBHKHC-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-12(11-13)9-10-14/h9,14H,2-8,10H2,1H3/b12-9-.
What are the key properties of (2Z)-2-(2-hydroxyethylidene)decanenitrile?
(2Z)-2-(2-hydroxyethylidene)decanenitrile has a molecular weight of 195.31 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-hydroxyethylidene)decanenitrile is sourced from PubChem (CID 135049668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).