2,3-dimethylbut-2-enoic acid

C6H10O2 — CID 535246

IUPAC2,3-dimethylbut-2-enoic acid
SMILESCC(C)=C(C)C(=O)O
InChIInChI=1S/C6H10O2/c1-4(2)5(3)6(7)8/h1-3H3,(H,7,8)
InChIKeyUAXOELSVPTZZQG-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.43
Rot. Bonds1

About 2,3-dimethylbut-2-enoic acid

2,3-dimethylbut-2-enoic acid (PubChem CID 535246) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2,3-dimethylbut-2-enoic acid.

Molecular Properties

Compound Name2,3-dimethylbut-2-enoic acid
PubChem CID535246
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2,3-dimethylbut-2-enoic acid
SMILESCC(C)=C(C)C(=O)O
InChIInChI=1S/C6H10O2/c1-4(2)5(3)6(7)8/h1-3H3,(H,7,8)
InChIKeyUAXOELSVPTZZQG-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-2-butenoic acid
CID 10931
Tiglic acid
CID 125468
2,3-Dimethylacrylic acid, (Z)-
CID 643915
2-Butenoic acid, 2-methyl-
CID 6656
Dimethylmaleic acid
CID 3032309
2-Fluoro-3-methylbut-2-enoic acid
CID 55299767
2,3-Dimethylfumaric acid
CID 5371506
2,3-Dimethylpent-2-enoic acid
CID 5364407
2-Butenoic acid, 3-bromo-2-methyl-, (E)-
CID 819060
2,3-Dimethylbut-2-enedioic acid
CID 10262
(Z)-2,3-Dimethylpent-2-enoic acid
CID 5990264
Propanedioic acid,2-(1-methylethylidene)-
CID 240545

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-enoic acid?
The IUPAC name of 2,3-dimethylbut-2-enoic acid (CID 535246) is 2,3-dimethylbut-2-enoic acid.
What is the SMILES notation for 2,3-dimethylbut-2-enoic acid?
The canonical SMILES for 2,3-dimethylbut-2-enoic acid is CC(C)=C(C)C(=O)O.
What is the InChIKey of 2,3-dimethylbut-2-enoic acid?
The InChIKey is UAXOELSVPTZZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(2)5(3)6(7)8/h1-3H3,(H,7,8).
What are the key properties of 2,3-dimethylbut-2-enoic acid?
2,3-dimethylbut-2-enoic acid has a molecular weight of 114.14 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-enoic acid is sourced from PubChem (CID 535246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).