(Z)-4-methylpent-2-enal

C6H10O — CID 5354998

IUPAC(Z)-4-methylpent-2-enal
SMILESCC(C)/C=C\C=O
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-
InChIKeyRIWPMNBTULNXOH-ARJAWSKDSA-N
MW98.14 g/mol
LogP1.40
Rot. Bonds2

About (Z)-4-methylpent-2-enal

(Z)-4-methylpent-2-enal (PubChem CID 5354998) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (Z)-4-methylpent-2-enal.

Molecular Properties

Compound Name(Z)-4-methylpent-2-enal
PubChem CID5354998
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(Z)-4-methylpent-2-enal
SMILESCC(C)/C=C\C=O
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-
InChIKeyRIWPMNBTULNXOH-ARJAWSKDSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.40
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'}

Analyze (Z)-4-methylpent-2-enal 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

trans-2-Hexenal
CID 5281168
2-Heptenal
CID 5283316
(E)-2-Pentenal
CID 5364752
trans-2,cis-6-Nonadienal
CID 643731
2,4-Heptadienal
CID 5283321
Hexenal
CID 10460
(E)-2-Methyl-2-pentenal
CID 5319754
2-Pentenal
CID 12993
2-Methyl-2-pentenal
CID 12177
2-Hexenal, (2Z)-
CID 6428782
2,6-Octadienal, (2E,6E)-
CID 6365761
(E,E)-2,6-Nonadienal
CID 636687

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylpent-2-enal?
The IUPAC name of (Z)-4-methylpent-2-enal (CID 5354998) is (Z)-4-methylpent-2-enal.
What is the SMILES notation for (Z)-4-methylpent-2-enal?
The canonical SMILES for (Z)-4-methylpent-2-enal is CC(C)/C=C\C=O.
What is the InChIKey of (Z)-4-methylpent-2-enal?
The InChIKey is RIWPMNBTULNXOH-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-.
What are the key properties of (Z)-4-methylpent-2-enal?
(Z)-4-methylpent-2-enal has a molecular weight of 98.14 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylpent-2-enal is sourced from PubChem (CID 5354998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).