(E)-3-ethenyl-2-oxohex-3-enal

C8H10O2 — CID 143240518

IUPAC(E)-3-ethenyl-2-oxohex-3-enal
SMILESC=C/C(=C\CC)C(=O)C=O
InChIInChI=1S/C8H10O2/c1-3-5-7(4-2)8(10)6-9/h4-6H,2-3H2,1H3/b7-5+
InChIKeyZBGVACZXQAALQL-FNORWQNLSA-N
MW138.17 g/mol
LogP1.28
Rot. Bonds4

About (E)-3-ethenyl-2-oxohex-3-enal

(E)-3-ethenyl-2-oxohex-3-enal (PubChem CID 143240518) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (E)-3-ethenyl-2-oxohex-3-enal.

Molecular Properties

Compound Name(E)-3-ethenyl-2-oxohex-3-enal
PubChem CID143240518
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(E)-3-ethenyl-2-oxohex-3-enal
SMILESC=C/C(=C\CC)C(=O)C=O
InChIInChI=1S/C8H10O2/c1-3-5-7(4-2)8(10)6-9/h4-6H,2-3H2,1H3/b7-5+
InChIKeyZBGVACZXQAALQL-FNORWQNLSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-ethenyl-N-ethylpent-2-enamide
CID 156641185
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
3-penta-1,3-dien-3-ylhexa-1,3-dien-1-one
CID 141087599
3-ethenyl-2-ethoxyhexa-1,3-diene
CID 123543199
(4E)-4-methoxyhepta-1,4-dien-3-one
CID 90944896
(Z)-2-bromopent-2-enal
CID 16664496
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
ethanol;prop-2-enoic acid
CID 159350313
butane;(2E,4Z)-4-ethenyl-3-methylsulfanylhepta-2,4-diene
CID 145365968
butane;ethane;(E)-2-ethenyl-1-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)pent-2-en-1-one
CID 145271867
(E)-2-formyl-N'-methylpent-2-enimidamide
CID 176699562

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-2-oxohex-3-enal?
The IUPAC name of (E)-3-ethenyl-2-oxohex-3-enal (CID 143240518) is (E)-3-ethenyl-2-oxohex-3-enal.
What is the SMILES notation for (E)-3-ethenyl-2-oxohex-3-enal?
The canonical SMILES for (E)-3-ethenyl-2-oxohex-3-enal is C=C/C(=C\CC)C(=O)C=O.
What is the InChIKey of (E)-3-ethenyl-2-oxohex-3-enal?
The InChIKey is ZBGVACZXQAALQL-FNORWQNLSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-5-7(4-2)8(10)6-9/h4-6H,2-3H2,1H3/b7-5+.
What are the key properties of (E)-3-ethenyl-2-oxohex-3-enal?
(E)-3-ethenyl-2-oxohex-3-enal has a molecular weight of 138.17 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-2-oxohex-3-enal is sourced from PubChem (CID 143240518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).