4-methylpent-4-enoic acid

C6H10O2 — CID 5282648

IUPAC4-methylpent-4-enoic acid
SMILESC=C(C)CCC(=O)O
InChIInChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
InChIKeyHVHBTFZQLHOFHA-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.43
Rot. Bonds3

About 4-methylpent-4-enoic acid

4-methylpent-4-enoic acid (PubChem CID 5282648) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-methylpent-4-enoic acid.

Molecular Properties

Compound Name4-methylpent-4-enoic acid
PubChem CID5282648
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-methylpent-4-enoic acid
SMILESC=C(C)CCC(=O)O
InChIInChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
InChIKeyHVHBTFZQLHOFHA-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-3-butenoic acid
CID 417575
5-Hexenoic Acid
CID 15308
5-Methylhex-5-enoic acid
CID 549600
3-Methylenecyclobutanecarboxylic acid
CID 27475
2-Methylenecyclopropaneacetic acid
CID 10214381
6-Methylhept-5-enoic acid
CID 5282663
3-Isopropyl-3-butenoic acid
CID 443528
2-Propylacrylic acid
CID 5165043
2-Methyl-5-hexenoic acid
CID 10701854
2,4-Dimethylpent-4-enoic acid
CID 12216735
(2S)-2,4-Dimethyl-4-pentenoic acid
CID 25058579
(2R)-2,4-dimethylpent-4-enoic acid
CID 59093560

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-4-enoic acid?
The IUPAC name of 4-methylpent-4-enoic acid (CID 5282648) is 4-methylpent-4-enoic acid.
What is the SMILES notation for 4-methylpent-4-enoic acid?
The canonical SMILES for 4-methylpent-4-enoic acid is C=C(C)CCC(=O)O.
What is the InChIKey of 4-methylpent-4-enoic acid?
The InChIKey is HVHBTFZQLHOFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H,7,8).
What are the key properties of 4-methylpent-4-enoic acid?
4-methylpent-4-enoic acid has a molecular weight of 114.14 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-4-enoic acid is sourced from PubChem (CID 5282648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).