(9Z,12Z)-19-ethyltetracosa-9,12-dienal

C26H48O — CID 173398960

IUPAC(9Z,12Z)-19-ethyltetracosa-9,12-dienal
SMILESCCCCCC(CC)CCCCC/C=C\C/C=C\CCCCCCCC=O
InChIInChI=1S/C26H48O/c1-3-5-20-23-26(4-2)24-21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-22-25-27/h6-7,10,12,25-26H,3-5,8-9,11,13-24H2,1-2H3/b7-6-,12-10-
InChIKeyCADWIMRTQUKADR-CEHXRRPISA-N
MW376.67 g/mol
LogP8.98
Rot. Bonds21

About (9Z,12Z)-19-ethyltetracosa-9,12-dienal

(9Z,12Z)-19-ethyltetracosa-9,12-dienal (PubChem CID 173398960) has the molecular formula C26H48O and a molecular weight of 376.67 g/mol. Its IUPAC name is (9Z,12Z)-19-ethyltetracosa-9,12-dienal.

Molecular Properties

Compound Name(9Z,12Z)-19-ethyltetracosa-9,12-dienal
PubChem CID173398960
Molecular FormulaC26H48O
Molecular Weight376.67 g/mol
Exact Mass376.37
IUPAC Name(9Z,12Z)-19-ethyltetracosa-9,12-dienal
SMILESCCCCCC(CC)CCCCC/C=C\C/C=C\CCCCCCCC=O
InChIInChI=1S/C26H48O/c1-3-5-20-23-26(4-2)24-21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-22-25-27/h6-7,10,12,25-26H,3-5,8-9,11,13-24H2,1-2H3/b7-6-,12-10-
InChIKeyCADWIMRTQUKADR-CEHXRRPISA-N
XLogP8.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 58.98
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'}

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Related Compounds

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CID 54527856
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
16-ethyldocos-10-ene
CID 91389222
(20Z,23Z)-10-[2-(dimethylamino)ethyl]nonacosa-20,23-dienal
CID 146462803
heptadeca-9,12-dienal
CID 76609850
(E)-5,22-diethylhexacos-11-ene
CID 173194569
icosa-5,8,11,14-tetraenal
CID 54011823
19-propyltritriaconta-6,9,24-triene
CID 54372361
(E)-octadec-8-enal
CID 5365013

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-19-ethyltetracosa-9,12-dienal?
The IUPAC name of (9Z,12Z)-19-ethyltetracosa-9,12-dienal (CID 173398960) is (9Z,12Z)-19-ethyltetracosa-9,12-dienal.
What is the SMILES notation for (9Z,12Z)-19-ethyltetracosa-9,12-dienal?
The canonical SMILES for (9Z,12Z)-19-ethyltetracosa-9,12-dienal is CCCCCC(CC)CCCCC/C=C\C/C=C\CCCCCCCC=O.
What is the InChIKey of (9Z,12Z)-19-ethyltetracosa-9,12-dienal?
The InChIKey is CADWIMRTQUKADR-CEHXRRPISA-N. The full InChI is InChI=1S/C26H48O/c1-3-5-20-23-26(4-2)24-21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-22-25-27/h6-7,10,12,25-26H,3-5,8-9,11,13-24H2,1-2H3/b7-6-,12-10-.
What are the key properties of (9Z,12Z)-19-ethyltetracosa-9,12-dienal?
(9Z,12Z)-19-ethyltetracosa-9,12-dienal has a molecular weight of 376.67 g/mol, XLogP of 8.98, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-19-ethyltetracosa-9,12-dienal is sourced from PubChem (CID 173398960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).