2-methylpent-4-enal

C6H10O — CID 521355

IUPAC2-methylpent-4-enal
SMILESC=CCC(C)C=O
InChIInChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3
InChIKeyRCQKLWAPRHHRNN-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.40
Rot. Bonds3

About 2-methylpent-4-enal

2-methylpent-4-enal (PubChem CID 521355) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-methylpent-4-enal.

Molecular Properties

Compound Name2-methylpent-4-enal
PubChem CID521355
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-methylpent-4-enal
SMILESC=CCC(C)C=O
InChIInChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3
InChIKeyRCQKLWAPRHHRNN-UHFFFAOYSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Pentenal
CID 16418
2,2-Dimethylpent-4-enal
CID 79636
4-Pentenal, 2-ethyl-
CID 21264
2,3-Dimethylpent-4-enal
CID 110697
3-Methyl-4-pentenal
CID 15683
(3S)-3-methylpent-4-enal
CID 59787455
(S)-4-Methylhex-5-enal
CID 11029793
(R)-4-Methylhex-5-enal
CID 13755667
(2S)-2-methyl-4-pentenal
CID 10176097
4-Methylhex-5-enal
CID 3017390
(2R)-2-methylpent-4-enal
CID 11018811
2-Vinylcyclopropanal
CID 13248127

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-4-enal?
The IUPAC name of 2-methylpent-4-enal (CID 521355) is 2-methylpent-4-enal.
What is the SMILES notation for 2-methylpent-4-enal?
The canonical SMILES for 2-methylpent-4-enal is C=CCC(C)C=O.
What is the InChIKey of 2-methylpent-4-enal?
The InChIKey is RCQKLWAPRHHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-methylpent-4-enal?
2-methylpent-4-enal has a molecular weight of 98.14 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-4-enal is sourced from PubChem (CID 521355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).