2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid

C11H16O4 — CID 56976246

IUPAC2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid
SMILESCC=C(C)C(=O)OCCC=C(C)C(=O)O
InChIInChI=1S/C11H16O4/c1-4-8(2)11(14)15-7-5-6-9(3)10(12)13/h4,6H,5,7H2,1-3H3,(H,12,13)
InChIKeyWZLCSNIBADCTMD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.92
Rot. Bonds5

About 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid

2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid (PubChem CID 56976246) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid
PubChem CID56976246
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid
SMILESCC=C(C)C(=O)OCCC=C(C)C(=O)O
InChIInChI=1S/C11H16O4/c1-4-8(2)11(14)15-7-5-6-9(3)10(12)13/h4,6H,5,7H2,1-3H3,(H,12,13)
InChIKeyWZLCSNIBADCTMD-UHFFFAOYSA-N
XLogP1.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid 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

2-methyl-6-(2-methylbut-2-enoyloxy)hex-2-enoic acid
CID 175363881
2-methyl-5-(2-methyl-5-phenoxypent-2-enoyl)oxypent-2-enoic acid
CID 91283637
2-acetyloxyethyl 5-acetyloxy-2-methylpent-2-enoate
CID 157306081
5-(2-chloropropanoyloxy)-2-methylpent-2-enoic acid
CID 173221396
6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid
CID 57086518
2-methyl-5-sulfanyloxypent-2-enoic acid
CID 57297654
[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
CID 15461361
5-(3-chloropropanoyloxy)-2-methylpent-2-enoic acid
CID 90742371
2-methyl-5-prop-2-ynoxycarbonyloxypent-2-enoic acid
CID 173353143
2-methyl-6-(2-oxobutanoyloxy)hex-2-enoic acid
CID 56997764
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
[(3E,6Z)-nona-3,6-dienyl] (Z)-2-methylbut-2-enoate
CID 91692546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid?
The IUPAC name of 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid (CID 56976246) is 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid.
What is the SMILES notation for 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid?
The canonical SMILES for 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid is CC=C(C)C(=O)OCCC=C(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid?
The InChIKey is WZLCSNIBADCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-8(2)11(14)15-7-5-6-9(3)10(12)13/h4,6H,5,7H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid?
2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylbut-2-enoyloxy)pent-2-enoic acid is sourced from PubChem (CID 56976246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).