(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal

C10H14O — CID 143311273

IUPAC(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
SMILESC=C/C(C=O)=C\C(=C/C)CC
InChIInChI=1S/C10H14O/c1-4-9(5-2)7-10(6-3)8-11/h4,6-8H,3,5H2,1-2H3/b9-4-,10-7+
InChIKeyIQOSTOXBGXTXHI-SWSBUGGLSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds4

About (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal

(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal (PubChem CID 143311273) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
PubChem CID143311273
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
SMILESC=C/C(C=O)=C\C(=C/C)CC
InChIInChI=1S/C10H14O/c1-4-9(5-2)7-10(6-3)8-11/h4,6-8H,3,5H2,1-2H3/b9-4-,10-7+
InChIKeyIQOSTOXBGXTXHI-SWSBUGGLSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
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'}

Analyze (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-ethenyl-4-methylidenehex-2-enal
CID 142874155
ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide
CID 144553341
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienamide
CID 145265634
(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
CID 166909191
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
(2E)-2-ethenyl-5-methylhexa-2,5-dienal
CID 145355819
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142211855
(2E)-2-ethenyl-6-methylhepta-2,5-dienal
CID 5369951
(Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal
CID 153339375
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal?
The IUPAC name of (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal (CID 143311273) is (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal.
What is the SMILES notation for (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal?
The canonical SMILES for (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal is C=C/C(C=O)=C\C(=C/C)CC.
What is the InChIKey of (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal?
The InChIKey is IQOSTOXBGXTXHI-SWSBUGGLSA-N. The full InChI is InChI=1S/C10H14O/c1-4-9(5-2)7-10(6-3)8-11/h4,6-8H,3,5H2,1-2H3/b9-4-,10-7+.
What are the key properties of (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal?
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal has a molecular weight of 150.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal is sourced from PubChem (CID 143311273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).