4-methyl-2-methylidenepent-4-enoic acid

C7H10O2 — CID 22011124

IUPAC4-methyl-2-methylidenepent-4-enoic acid
SMILESC=C(C)CC(=C)C(=O)O
InChIInChI=1S/C7H10O2/c1-5(2)4-6(3)7(8)9/h1,3-4H2,2H3,(H,8,9)
InChIKeyCUAQHGLBXOSGLO-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.59
Rot. Bonds3

About 4-methyl-2-methylidenepent-4-enoic acid

4-methyl-2-methylidenepent-4-enoic acid (PubChem CID 22011124) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-methyl-2-methylidenepent-4-enoic acid.

Molecular Properties

Compound Name4-methyl-2-methylidenepent-4-enoic acid
PubChem CID22011124
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-methyl-2-methylidenepent-4-enoic acid
SMILESC=C(C)CC(=C)C(=O)O
InChIInChI=1S/C7H10O2/c1-5(2)4-6(3)7(8)9/h1,3-4H2,2H3,(H,8,9)
InChIKeyCUAQHGLBXOSGLO-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidenebutanedioic acid;zirconium
CID 158245785
methane;2-methylidenebutanedioic acid
CID 158038738
2-methylbuta-1,3-diene;2-methylidenebutanedioic acid
CID 162113299
λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
CID 173454625
2-methylidenebutanedioic acid;trimethylazanium;chloride
CID 157060052
2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
CID 18995564
4-carbamoyl-2-methylidenepent-4-enoic acid
CID 87629138
potassium;sodium;hydride;2-methylidenebutanedioic acid
CID 174838643
2,5-dimethylhexa-1,5-dien-3-one
CID 20789946
2,11-dimethylidenedodecanedioic acid
CID 20542368
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
4-[bis(2-hydroxypropyl)amino]-2-methylidene-4-oxobutanoic acid
CID 118533949

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidenepent-4-enoic acid?
The IUPAC name of 4-methyl-2-methylidenepent-4-enoic acid (CID 22011124) is 4-methyl-2-methylidenepent-4-enoic acid.
What is the SMILES notation for 4-methyl-2-methylidenepent-4-enoic acid?
The canonical SMILES for 4-methyl-2-methylidenepent-4-enoic acid is C=C(C)CC(=C)C(=O)O.
What is the InChIKey of 4-methyl-2-methylidenepent-4-enoic acid?
The InChIKey is CUAQHGLBXOSGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5(2)4-6(3)7(8)9/h1,3-4H2,2H3,(H,8,9).
What are the key properties of 4-methyl-2-methylidenepent-4-enoic acid?
4-methyl-2-methylidenepent-4-enoic acid has a molecular weight of 126.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidenepent-4-enoic acid is sourced from PubChem (CID 22011124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).