(Z)-6-oxohept-3-enal

C7H10O2 — CID 134987885

IUPAC(Z)-6-oxohept-3-enal
SMILESCC(=O)C/C=C\CC=O
InChIInChI=1S/C7H10O2/c1-7(9)5-3-2-4-6-8/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyULDSAKKGEOKORF-IHWYPQMZSA-N
MW126.15 g/mol
LogP1.11
Rot. Bonds4

About (Z)-6-oxohept-3-enal

(Z)-6-oxohept-3-enal (PubChem CID 134987885) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (Z)-6-oxohept-3-enal.

Molecular Properties

Compound Name(Z)-6-oxohept-3-enal
PubChem CID134987885
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(Z)-6-oxohept-3-enal
SMILESCC(=O)C/C=C\CC=O
InChIInChI=1S/C7H10O2/c1-7(9)5-3-2-4-6-8/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyULDSAKKGEOKORF-IHWYPQMZSA-N
XLogP1.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.11
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

oct-4-ene-2,7-dione
CID 57029717
λ2-plumbane;3-oxobutanal
CID 173391243
chromium;3-oxobutanal
CID 174605228
methyl (E)-6-oxohept-3-enoate
CID 58421988
(Z)-hex-3-enal
CID 162039404
(E)-dec-4-en-2-one
CID 12955998
5-oxohex-2-enamide
CID 53395079
6-methylhept-4-en-2-one
CID 57170951
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
(Z)-undec-4-en-2-one
CID 177193877
methoxymethyl (E)-6-oxohept-3-enoate
CID 153279843

Frequently Asked Questions

What is the IUPAC name of (Z)-6-oxohept-3-enal?
The IUPAC name of (Z)-6-oxohept-3-enal (CID 134987885) is (Z)-6-oxohept-3-enal.
What is the SMILES notation for (Z)-6-oxohept-3-enal?
The canonical SMILES for (Z)-6-oxohept-3-enal is CC(=O)C/C=C\CC=O.
What is the InChIKey of (Z)-6-oxohept-3-enal?
The InChIKey is ULDSAKKGEOKORF-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(9)5-3-2-4-6-8/h2-3,6H,4-5H2,1H3/b3-2-.
What are the key properties of (Z)-6-oxohept-3-enal?
(Z)-6-oxohept-3-enal has a molecular weight of 126.15 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-oxohept-3-enal is sourced from PubChem (CID 134987885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).