(2E)-2-ethylpenta-2,4-dienal

C7H10O — CID 88543271

IUPAC(2E)-2-ethylpenta-2,4-dienal
SMILESC=C/C=C(/C=O)CC
InChIInChI=1S/C7H10O/c1-3-5-7(4-2)6-8/h3,5-6H,1,4H2,2H3/b7-5+
InChIKeyPRWFTPSEMZXXDE-FNORWQNLSA-N
MW110.16 g/mol
LogP1.71
Rot. Bonds3

About (2E)-2-ethylpenta-2,4-dienal

(2E)-2-ethylpenta-2,4-dienal (PubChem CID 88543271) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (2E)-2-ethylpenta-2,4-dienal.

Molecular Properties

Compound Name(2E)-2-ethylpenta-2,4-dienal
PubChem CID88543271
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(2E)-2-ethylpenta-2,4-dienal
SMILESC=C/C=C(/C=O)CC
InChIInChI=1S/C7H10O/c1-3-5-7(4-2)6-8/h3,5-6H,1,4H2,2H3/b7-5+
InChIKeyPRWFTPSEMZXXDE-FNORWQNLSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.71
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

(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
2-prop-2-enylidenepentanedial
CID 88740289
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
2-(chloromethylidene)butanal
CID 71360775
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
(2E,4Z)-4-ethyl-2-methylhepta-2,4,6-trienenitrile
CID 143284376
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
CID 143653088
(E)-2-ethyl-4-methylpent-2-enal
CID 5463085
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylpenta-2,4-dienal?
The IUPAC name of (2E)-2-ethylpenta-2,4-dienal (CID 88543271) is (2E)-2-ethylpenta-2,4-dienal.
What is the SMILES notation for (2E)-2-ethylpenta-2,4-dienal?
The canonical SMILES for (2E)-2-ethylpenta-2,4-dienal is C=C/C=C(/C=O)CC.
What is the InChIKey of (2E)-2-ethylpenta-2,4-dienal?
The InChIKey is PRWFTPSEMZXXDE-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10O/c1-3-5-7(4-2)6-8/h3,5-6H,1,4H2,2H3/b7-5+.
What are the key properties of (2E)-2-ethylpenta-2,4-dienal?
(2E)-2-ethylpenta-2,4-dienal has a molecular weight of 110.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylpenta-2,4-dienal is sourced from PubChem (CID 88543271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).