(8E,10E)-12-oxododeca-8,10-dienenitrile

C12H17NO — CID 87790760

IUPAC(8E,10E)-12-oxododeca-8,10-dienenitrile
SMILESN#CCCCCCC/C=C/C=C/C=O
InChIInChI=1S/C12H17NO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h4,6,8,10,12H,1-3,5,7,9H2/b6-4+,10-8+
InChIKeyMPVRIEBMKMTGEY-ONNLMXTPSA-N
MW191.27 g/mol
LogP3.16
Rot. Bonds8

About (8E,10E)-12-oxododeca-8,10-dienenitrile

(8E,10E)-12-oxododeca-8,10-dienenitrile (PubChem CID 87790760) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (8E,10E)-12-oxododeca-8,10-dienenitrile.

Molecular Properties

Compound Name(8E,10E)-12-oxododeca-8,10-dienenitrile
PubChem CID87790760
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(8E,10E)-12-oxododeca-8,10-dienenitrile
SMILESN#CCCCCCC/C=C/C=C/C=O
InChIInChI=1S/C12H17NO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h4,6,8,10,12H,1-3,5,7,9H2/b6-4+,10-8+
InChIKeyMPVRIEBMKMTGEY-ONNLMXTPSA-N
XLogP3.16
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (8E,10E)-12-oxododeca-8,10-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
20-oxoicosanenitrile
CID 54108861
11,11-dimethyldodeca-7,9-dienenitrile
CID 142114722
icosa-2,4,6-trienal
CID 54359003
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
(2E,4E)-dodeca-2,4-dienal
CID 5367530
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(2Z)-deca-2,4-dienal
CID 87792972
(E)-tridec-11-enenitrile
CID 101282243
(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial
CID 25112076

Frequently Asked Questions

What is the IUPAC name of (8E,10E)-12-oxododeca-8,10-dienenitrile?
The IUPAC name of (8E,10E)-12-oxododeca-8,10-dienenitrile (CID 87790760) is (8E,10E)-12-oxododeca-8,10-dienenitrile.
What is the SMILES notation for (8E,10E)-12-oxododeca-8,10-dienenitrile?
The canonical SMILES for (8E,10E)-12-oxododeca-8,10-dienenitrile is N#CCCCCCC/C=C/C=C/C=O.
What is the InChIKey of (8E,10E)-12-oxododeca-8,10-dienenitrile?
The InChIKey is MPVRIEBMKMTGEY-ONNLMXTPSA-N. The full InChI is InChI=1S/C12H17NO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h4,6,8,10,12H,1-3,5,7,9H2/b6-4+,10-8+.
What are the key properties of (8E,10E)-12-oxododeca-8,10-dienenitrile?
(8E,10E)-12-oxododeca-8,10-dienenitrile has a molecular weight of 191.27 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E)-12-oxododeca-8,10-dienenitrile is sourced from PubChem (CID 87790760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).