2-prop-2-enylpent-4-enethial

C8H12S — CID 173459844

IUPAC2-prop-2-enylpent-4-enethial
SMILESC=CCC(C=S)CC=C
InChIInChI=1S/C8H12S/c1-3-5-8(7-9)6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyUINUQUNEWMVUMT-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.75
Rot. Bonds5

About 2-prop-2-enylpent-4-enethial

2-prop-2-enylpent-4-enethial (PubChem CID 173459844) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-prop-2-enylpent-4-enethial.

Molecular Properties

Compound Name2-prop-2-enylpent-4-enethial
PubChem CID173459844
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-prop-2-enylpent-4-enethial
SMILESC=CCC(C=S)CC=C
InChIInChI=1S/C8H12S/c1-3-5-8(7-9)6-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyUINUQUNEWMVUMT-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.75
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-prop-2-enylpent-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

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpent-4-enethial?
The IUPAC name of 2-prop-2-enylpent-4-enethial (CID 173459844) is 2-prop-2-enylpent-4-enethial.
What is the SMILES notation for 2-prop-2-enylpent-4-enethial?
The canonical SMILES for 2-prop-2-enylpent-4-enethial is C=CCC(C=S)CC=C.
What is the InChIKey of 2-prop-2-enylpent-4-enethial?
The InChIKey is UINUQUNEWMVUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-3-5-8(7-9)6-4-2/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-prop-2-enylpent-4-enethial?
2-prop-2-enylpent-4-enethial has a molecular weight of 140.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpent-4-enethial is sourced from PubChem (CID 173459844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).