2-ethenylpent-4-enethial

C7H10S — CID 173038420

IUPAC2-ethenylpent-4-enethial
SMILESC=CCC(C=C)C=S
InChIInChI=1S/C7H10S/c1-3-5-7(4-2)6-8/h3-4,6-7H,1-2,5H2
InChIKeyLNHYYXDEGITBKK-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.36
Rot. Bonds4

About 2-ethenylpent-4-enethial

2-ethenylpent-4-enethial (PubChem CID 173038420) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 2-ethenylpent-4-enethial.

Molecular Properties

Compound Name2-ethenylpent-4-enethial
PubChem CID173038420
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name2-ethenylpent-4-enethial
SMILESC=CCC(C=C)C=S
InChIInChI=1S/C7H10S/c1-3-5-7(4-2)6-8/h3-4,6-7H,1-2,5H2
InChIKeyLNHYYXDEGITBKK-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-ethenylpent-4-enethial 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

4-ethyl-4H-thiopyran
CID 68340362
4-Methylpentenylmercaptan
CID 74054429
[(E)-4-methylpent-1-enyl] thiohypofluorite
CID 169809913
Cyclopropene-3-thiocarbaldehyde
CID 129672425
4-Methyl-1-methylsulfanylpent-1-ene
CID 13307684
methyl-[(E)-3-methylbut-1-enyl]-methylidene-lambda4-sulfane
CID 18711697
Hex-5-enethial
CID 18972697
2,2-Dimethylpent-4-enethial
CID 21569511
(E)-4-methylpent-1-ene-1-thiol
CID 23471333
Pent-4-enethial
CID 53692681
2-Methylpent-4-enethial
CID 54010451
3-Methylpent-4-ene-1-thiol
CID 56986162

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpent-4-enethial?
The IUPAC name of 2-ethenylpent-4-enethial (CID 173038420) is 2-ethenylpent-4-enethial.
What is the SMILES notation for 2-ethenylpent-4-enethial?
The canonical SMILES for 2-ethenylpent-4-enethial is C=CCC(C=C)C=S.
What is the InChIKey of 2-ethenylpent-4-enethial?
The InChIKey is LNHYYXDEGITBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-3-5-7(4-2)6-8/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-ethenylpent-4-enethial?
2-ethenylpent-4-enethial has a molecular weight of 126.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpent-4-enethial is sourced from PubChem (CID 173038420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).