(7E,11Z,13Z)-hexadeca-7,11,13-trienal

C16H26O — CID 87161506

IUPAC(7E,11Z,13Z)-hexadeca-7,11,13-trienal
SMILESCC/C=C\C=C/CC/C=C/CCCCCC=O
InChIInChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,9-10,16H,2,7-8,11-15H2,1H3/b4-3-,6-5-,10-9+
InChIKeySXCDAEFYAJTNJF-VAEOFENLSA-N
MW234.38 g/mol
LogP4.99
Rot. Bonds11

About (7E,11Z,13Z)-hexadeca-7,11,13-trienal

(7E,11Z,13Z)-hexadeca-7,11,13-trienal (PubChem CID 87161506) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (7E,11Z,13Z)-hexadeca-7,11,13-trienal.

Molecular Properties

Compound Name(7E,11Z,13Z)-hexadeca-7,11,13-trienal
PubChem CID87161506
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(7E,11Z,13Z)-hexadeca-7,11,13-trienal
SMILESCC/C=C\C=C/CC/C=C/CCCCCC=O
InChIInChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,9-10,16H,2,7-8,11-15H2,1H3/b4-3-,6-5-,10-9+
InChIKeySXCDAEFYAJTNJF-VAEOFENLSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.99
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(7E,9E)-dodeca-7,9-dienal
CID 5368951
(11E)-hexadeca-11,13-dienal
CID 173074730
(9Z,11E)-tetradeca-9,11-dienal
CID 10750891
pentadeca-6,8,10,12-tetraenal
CID 78382191
(E)-heptadec-14-enal
CID 5367667
triaconta-9,17,19-trienedial
CID 54176799
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
(10E,12Z)-hexadeca-10,12-dienal
CID 10922550
(9Z,11E)-hexadeca-9,11-dienal
CID 11172431
(3E,5Z,9Z)-pentadeca-3,5,9-triene
CID 90384035
hexadeca-7,11-dienal
CID 543335
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162

Frequently Asked Questions

What is the IUPAC name of (7E,11Z,13Z)-hexadeca-7,11,13-trienal?
The IUPAC name of (7E,11Z,13Z)-hexadeca-7,11,13-trienal (CID 87161506) is (7E,11Z,13Z)-hexadeca-7,11,13-trienal.
What is the SMILES notation for (7E,11Z,13Z)-hexadeca-7,11,13-trienal?
The canonical SMILES for (7E,11Z,13Z)-hexadeca-7,11,13-trienal is CC/C=C\C=C/CC/C=C/CCCCCC=O.
What is the InChIKey of (7E,11Z,13Z)-hexadeca-7,11,13-trienal?
The InChIKey is SXCDAEFYAJTNJF-VAEOFENLSA-N. The full InChI is InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,9-10,16H,2,7-8,11-15H2,1H3/b4-3-,6-5-,10-9+.
What are the key properties of (7E,11Z,13Z)-hexadeca-7,11,13-trienal?
(7E,11Z,13Z)-hexadeca-7,11,13-trienal has a molecular weight of 234.38 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11Z,13Z)-hexadeca-7,11,13-trienal is sourced from PubChem (CID 87161506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).