(10E,12Z)-hexadeca-10,12-dienal

C16H28O — CID 10922550

IUPAC(10E,12Z)-hexadeca-10,12-dienal
SMILESCCC/C=C\C=C\CCCCCCCCC=O
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
InChIKeyOSFASEAZCNYZBW-SCFJQAPRSA-N
MW236.40 g/mol
LogP5.22
Rot. Bonds12

About (10E,12Z)-hexadeca-10,12-dienal

(10E,12Z)-hexadeca-10,12-dienal (PubChem CID 10922550) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (10E,12Z)-hexadeca-10,12-dienal.

Molecular Properties

Compound Name(10E,12Z)-hexadeca-10,12-dienal
PubChem CID10922550
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(10E,12Z)-hexadeca-10,12-dienal
SMILESCCC/C=C\C=C\CCCCCCCCC=O
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
InChIKeyOSFASEAZCNYZBW-SCFJQAPRSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (10E,12Z)-hexadeca-10,12-dienal 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

(9Z,11E)-hexadeca-9,11-dienal
CID 11172431
(E)-octadec-14-enal
CID 5367669
(9Z,11E)-tetradeca-9,11-dienal
CID 10750891
(7E,9E)-dodeca-7,9-dienal
CID 5368951
(11E)-hexadeca-11,13-dienal
CID 173074730
triaconta-9,17,19-trienedial
CID 54176799
(6E)-octadeca-4,6-diene
CID 173243345
(7E,11Z,13Z)-hexadeca-7,11,13-trienal
CID 87161506
pentadeca-6,8,10,12-tetraenal
CID 78382191
(10E,12E)-13-chlorotrideca-10,12-dienal
CID 102501798
(E)-octacos-19-enal
CID 25245229
(Z)-tetradec-8-enal
CID 6430188

Frequently Asked Questions

What is the IUPAC name of (10E,12Z)-hexadeca-10,12-dienal?
The IUPAC name of (10E,12Z)-hexadeca-10,12-dienal (CID 10922550) is (10E,12Z)-hexadeca-10,12-dienal.
What is the SMILES notation for (10E,12Z)-hexadeca-10,12-dienal?
The canonical SMILES for (10E,12Z)-hexadeca-10,12-dienal is CCC/C=C\C=C\CCCCCCCCC=O.
What is the InChIKey of (10E,12Z)-hexadeca-10,12-dienal?
The InChIKey is OSFASEAZCNYZBW-SCFJQAPRSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+.
What are the key properties of (10E,12Z)-hexadeca-10,12-dienal?
(10E,12Z)-hexadeca-10,12-dienal has a molecular weight of 236.40 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,12Z)-hexadeca-10,12-dienal is sourced from PubChem (CID 10922550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).