methyl 2-hydroxy-2-methylpent-4-enoate

C7H12O3 — CID 24978338

IUPACmethyl 2-hydroxy-2-methylpent-4-enoate
SMILESC=CCC(C)(O)C(=O)OC
InChIInChI=1S/C7H12O3/c1-4-5-7(2,9)6(8)10-3/h4,9H,1,5H2,2-3H3
InChIKeyJZDKUMJBPCMQJF-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds3

About methyl 2-hydroxy-2-methylpent-4-enoate

methyl 2-hydroxy-2-methylpent-4-enoate (PubChem CID 24978338) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methylpent-4-enoate
PubChem CID24978338
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 2-hydroxy-2-methylpent-4-enoate
SMILESC=CCC(C)(O)C(=O)OC
InChIInChI=1S/C7H12O3/c1-4-5-7(2,9)6(8)10-3/h4,9H,1,5H2,2-3H3
InChIKeyJZDKUMJBPCMQJF-UHFFFAOYSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methylpent-4-enoate?
The IUPAC name of methyl 2-hydroxy-2-methylpent-4-enoate (CID 24978338) is methyl 2-hydroxy-2-methylpent-4-enoate.
What is the SMILES notation for methyl 2-hydroxy-2-methylpent-4-enoate?
The canonical SMILES for methyl 2-hydroxy-2-methylpent-4-enoate is C=CCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methylpent-4-enoate?
The InChIKey is JZDKUMJBPCMQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5-7(2,9)6(8)10-3/h4,9H,1,5H2,2-3H3.
What are the key properties of methyl 2-hydroxy-2-methylpent-4-enoate?
methyl 2-hydroxy-2-methylpent-4-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methylpent-4-enoate is sourced from PubChem (CID 24978338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).