(2E,4Z)-4-ethenylhepta-2,4,6-trienal

C9H10O — CID 118145094

IUPAC(2E,4Z)-4-ethenylhepta-2,4,6-trienal
SMILESC=C/C=C(C=C)\C=C\C=O
InChIInChI=1S/C9H10O/c1-3-6-9(4-2)7-5-8-10/h3-8H,1-2H2/b7-5+,9-6-
InChIKeyPSFCINJLBTZCFU-BEDCHXNXSA-N
MW134.18 g/mol
LogP2.04
Rot. Bonds4

About (2E,4Z)-4-ethenylhepta-2,4,6-trienal

(2E,4Z)-4-ethenylhepta-2,4,6-trienal (PubChem CID 118145094) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E,4Z)-4-ethenylhepta-2,4,6-trienal.

Molecular Properties

Compound Name(2E,4Z)-4-ethenylhepta-2,4,6-trienal
PubChem CID118145094
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(2E,4Z)-4-ethenylhepta-2,4,6-trienal
SMILESC=C/C=C(C=C)\C=C\C=O
InChIInChI=1S/C9H10O/c1-3-6-9(4-2)7-5-8-10/h3-8H,1-2H2/b7-5+,9-6-
InChIKeyPSFCINJLBTZCFU-BEDCHXNXSA-N
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid
CID 144698849
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
4-ethenylocta-2,4,7-trienal
CID 123696871
ethane;(2E,4E)-4-ethenylhepta-2,4,6-trienal;3-methylbenzaldehyde;[(E)-prop-1-enyl]benzene
CID 143010091
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
[(2Z)-2-formylpenta-2,4-dienylidene]tungsten
CID 58256469
(3Z)-hexa-1,3,5-triene-1,1,3-tricarbaldehyde
CID 166653083
(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid
CID 126761936
(2Z,4Z)-4-[(N-methyl-4-methylsulfanylanilino)methylidene]hexa-2,5-dienal
CID 129083665
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
methyl thiohypofluorite;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
CID 142138800

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
The IUPAC name of (2E,4Z)-4-ethenylhepta-2,4,6-trienal (CID 118145094) is (2E,4Z)-4-ethenylhepta-2,4,6-trienal.
What is the SMILES notation for (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
The canonical SMILES for (2E,4Z)-4-ethenylhepta-2,4,6-trienal is C=C/C=C(C=C)\C=C\C=O.
What is the InChIKey of (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
The InChIKey is PSFCINJLBTZCFU-BEDCHXNXSA-N. The full InChI is InChI=1S/C9H10O/c1-3-6-9(4-2)7-5-8-10/h3-8H,1-2H2/b7-5+,9-6-.
What are the key properties of (2E,4Z)-4-ethenylhepta-2,4,6-trienal?
(2E,4Z)-4-ethenylhepta-2,4,6-trienal has a molecular weight of 134.18 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethenylhepta-2,4,6-trienal is sourced from PubChem (CID 118145094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).