(5E,8E)-2-ethyltetradeca-5,8-dienal

C16H28O — CID 118354605

IUPAC(5E,8E)-2-ethyltetradeca-5,8-dienal
SMILESCCCCC/C=C/C/C=C/CCC(C=O)CC
InChIInChI=1S/C16H28O/c1-3-5-6-7-8-9-10-11-12-13-14-16(4-2)15-17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3/b9-8+,12-11+
InChIKeyLHOVOTUKQFHNDM-MVKOLZDDSA-N
MW236.40 g/mol
LogP5.07
Rot. Bonds11

About (5E,8E)-2-ethyltetradeca-5,8-dienal

(5E,8E)-2-ethyltetradeca-5,8-dienal (PubChem CID 118354605) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (5E,8E)-2-ethyltetradeca-5,8-dienal.

Molecular Properties

Compound Name(5E,8E)-2-ethyltetradeca-5,8-dienal
PubChem CID118354605
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(5E,8E)-2-ethyltetradeca-5,8-dienal
SMILESCCCCC/C=C/C/C=C/CCC(C=O)CC
InChIInChI=1S/C16H28O/c1-3-5-6-7-8-9-10-11-12-13-14-16(4-2)15-17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3/b9-8+,12-11+
InChIKeyLHOVOTUKQFHNDM-MVKOLZDDSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.07
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

2-ethylundeca-5,8-dienal
CID 140806984
2-ethylheptadecanal
CID 18629573
(E)-2-propyltridec-4-enal
CID 118354645
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
CID 173133183
2-ethylhept-5-enal
CID 159875666
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
icosa-5,8,11,14-tetraenal
CID 54011823

Frequently Asked Questions

What is the IUPAC name of (5E,8E)-2-ethyltetradeca-5,8-dienal?
The IUPAC name of (5E,8E)-2-ethyltetradeca-5,8-dienal (CID 118354605) is (5E,8E)-2-ethyltetradeca-5,8-dienal.
What is the SMILES notation for (5E,8E)-2-ethyltetradeca-5,8-dienal?
The canonical SMILES for (5E,8E)-2-ethyltetradeca-5,8-dienal is CCCCC/C=C/C/C=C/CCC(C=O)CC.
What is the InChIKey of (5E,8E)-2-ethyltetradeca-5,8-dienal?
The InChIKey is LHOVOTUKQFHNDM-MVKOLZDDSA-N. The full InChI is InChI=1S/C16H28O/c1-3-5-6-7-8-9-10-11-12-13-14-16(4-2)15-17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3/b9-8+,12-11+.
What are the key properties of (5E,8E)-2-ethyltetradeca-5,8-dienal?
(5E,8E)-2-ethyltetradeca-5,8-dienal has a molecular weight of 236.40 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E)-2-ethyltetradeca-5,8-dienal is sourced from PubChem (CID 118354605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).