(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal

C14H20O — CID 10081647

IUPAC(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
SMILESCC/C=C\C/C=C\CC/C=C/C=C/C=O
InChIInChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,6-7,10-14H,2,5,8-9H2,1H3/b4-3-,7-6-,11-10+,13-12+
InChIKeyUJBYSKRUBATPPJ-HITNOMFASA-N
MW204.31 g/mol
LogP3.99
Rot. Bonds8

About (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal

(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal (PubChem CID 10081647) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal.

Molecular Properties

Compound Name(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
PubChem CID10081647
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
SMILESCC/C=C\C/C=C\CC/C=C/C=C/C=O
InChIInChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,6-7,10-14H,2,5,8-9H2,1H3/b4-3-,7-6-,11-10+,13-12+
InChIKeyUJBYSKRUBATPPJ-HITNOMFASA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.99
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal with MolForge

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Related Compounds

(2Z,4Z,7Z)-deca-2,4,7-trienal
CID 146449298
(2E,4E,7E)-deca-2,4,7-trienal
CID 5283352
(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
CID 87856507
(2E,7Z)-deca-2,4,7-trienal
CID 86595204
(2E)-nona-2,6-dienal
CID 6992048
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
hexa-2,4-dienal;nona-2,6-dienal
CID 175425892
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
(2E)-octa-2,5-dienal
CID 152586701
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
docosa-4,8,12,15,19-pentaenal
CID 54481142
(10Z,13Z,16Z,19Z)-docosa-2,4,6,10,13,16,19-heptaenoic acid
CID 87987509

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal?
The IUPAC name of (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal (CID 10081647) is (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal.
What is the SMILES notation for (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal?
The canonical SMILES for (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal is CC/C=C\C/C=C\CC/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal?
The InChIKey is UJBYSKRUBATPPJ-HITNOMFASA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,6-7,10-14H,2,5,8-9H2,1H3/b4-3-,7-6-,11-10+,13-12+.
What are the key properties of (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal?
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal has a molecular weight of 204.31 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal is sourced from PubChem (CID 10081647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).