4-oxodec-7-enal

C10H16O2 — CID 3016242

IUPAC4-oxodec-7-enal
SMILESCCC=CCCC(=O)CCC=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h3-4,9H,2,5-8H2,1H3
InChIKeyPYCXUYULQFTHOD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.28
Rot. Bonds7

About 4-oxodec-7-enal

4-oxodec-7-enal (PubChem CID 3016242) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-oxodec-7-enal.

Molecular Properties

Compound Name4-oxodec-7-enal
PubChem CID3016242
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-oxodec-7-enal
SMILESCCC=CCCC(=O)CCC=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h3-4,9H,2,5-8H2,1H3
InChIKeyPYCXUYULQFTHOD-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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4-oxohexanal;zirconium
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(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one
CID 140692029
methyl 3-oxonon-6-enoate
CID 54100813
hept-4-enoic acid;hydrochloride
CID 143782457
1-nitrodec-7-en-4-one
CID 71391657
[(E)-hept-4-enoyl] (E)-hept-4-enoate
CID 22081122
(7Z,10Z,13Z,16Z,19Z,22Z)-2-methylpentacosa-7,10,13,16,19,22-hexaen-4-one
CID 157466418
6-amino-4-oxohexanal
CID 23192473
(E)-heptadec-14-enal
CID 5367667
docosa-4,8,12,15,19-pentaenal
CID 54481142
[(6Z,9Z)-3-oxododeca-6,9-dienyl] formate;[(8Z,11Z,14Z,17Z)-3-oxoicosa-8,11,14,17-tetraenyl] formate;[(6Z,9Z,12Z,15Z)-3-oxooctadeca-6,9,12,15-tetraenyl] formate;[(6Z,9Z,12Z)-3-oxopentadeca-6,9,12-trienyl] formate;[(8Z,11Z,14Z,17Z,20Z)-3-oxotricosa-8,11,14,17,20-pentaenyl] formate
CID 158032559

Frequently Asked Questions

What is the IUPAC name of 4-oxodec-7-enal?
The IUPAC name of 4-oxodec-7-enal (CID 3016242) is 4-oxodec-7-enal.
What is the SMILES notation for 4-oxodec-7-enal?
The canonical SMILES for 4-oxodec-7-enal is CCC=CCCC(=O)CCC=O.
What is the InChIKey of 4-oxodec-7-enal?
The InChIKey is PYCXUYULQFTHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-oxodec-7-enal?
4-oxodec-7-enal has a molecular weight of 168.24 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxodec-7-enal is sourced from PubChem (CID 3016242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).