(2E,10Z)-trideca-2,10-dienal

C13H22O — CID 129221038

IUPAC(2E,10Z)-trideca-2,10-dienal
SMILESCC/C=C\CCCCCC/C=C/C=O
InChIInChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-4,11-13H,2,5-10H2,1H3/b4-3-,12-11+
InChIKeyDEOMETMLCOAMHB-FECXASIGSA-N
MW194.32 g/mol
LogP4.05
Rot. Bonds9

About (2E,10Z)-trideca-2,10-dienal

(2E,10Z)-trideca-2,10-dienal (PubChem CID 129221038) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2E,10Z)-trideca-2,10-dienal.

Molecular Properties

Compound Name(2E,10Z)-trideca-2,10-dienal
PubChem CID129221038
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2E,10Z)-trideca-2,10-dienal
SMILESCC/C=C\CCCCCC/C=C/C=O
InChIInChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-4,11-13H,2,5-10H2,1H3/b4-3-,12-11+
InChIKeyDEOMETMLCOAMHB-FECXASIGSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.05
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
(2E)-nona-2,6-dienal
CID 6992048
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
pentadeca-2,7-dienal
CID 140791013
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
(3E,16E)-nonadeca-3,16-diene
CID 157471321
(E)-heptadec-14-enal
CID 5367667
dodec-2-enal;(E)-hex-2-enal
CID 159709120
(7E,11Z,13Z)-hexadeca-7,11,13-trienal
CID 87161506

Frequently Asked Questions

What is the IUPAC name of (2E,10Z)-trideca-2,10-dienal?
The IUPAC name of (2E,10Z)-trideca-2,10-dienal (CID 129221038) is (2E,10Z)-trideca-2,10-dienal.
What is the SMILES notation for (2E,10Z)-trideca-2,10-dienal?
The canonical SMILES for (2E,10Z)-trideca-2,10-dienal is CC/C=C\CCCCCC/C=C/C=O.
What is the InChIKey of (2E,10Z)-trideca-2,10-dienal?
The InChIKey is DEOMETMLCOAMHB-FECXASIGSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-4,11-13H,2,5-10H2,1H3/b4-3-,12-11+.
What are the key properties of (2E,10Z)-trideca-2,10-dienal?
(2E,10Z)-trideca-2,10-dienal has a molecular weight of 194.32 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,10Z)-trideca-2,10-dienal is sourced from PubChem (CID 129221038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).