ethenyl 3-hydroxy-2-methylpropanoate

C6H10O3 — CID 87161964

IUPACethenyl 3-hydroxy-2-methylpropanoate
SMILESC=COC(=O)C(C)CO
InChIInChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h3,5,7H,1,4H2,2H3
InChIKeyNEBKODQRFABIBT-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.30
Rot. Bonds3

About ethenyl 3-hydroxy-2-methylpropanoate

ethenyl 3-hydroxy-2-methylpropanoate (PubChem CID 87161964) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethenyl 3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethenyl 3-hydroxy-2-methylpropanoate
PubChem CID87161964
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethenyl 3-hydroxy-2-methylpropanoate
SMILESC=COC(=O)C(C)CO
InChIInChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h3,5,7H,1,4H2,2H3
InChIKeyNEBKODQRFABIBT-UHFFFAOYSA-N
XLogP0.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 3-hydroxy-2-methylpropanoate?
The IUPAC name of ethenyl 3-hydroxy-2-methylpropanoate (CID 87161964) is ethenyl 3-hydroxy-2-methylpropanoate.
What is the SMILES notation for ethenyl 3-hydroxy-2-methylpropanoate?
The canonical SMILES for ethenyl 3-hydroxy-2-methylpropanoate is C=COC(=O)C(C)CO.
What is the InChIKey of ethenyl 3-hydroxy-2-methylpropanoate?
The InChIKey is NEBKODQRFABIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h3,5,7H,1,4H2,2H3.
What are the key properties of ethenyl 3-hydroxy-2-methylpropanoate?
ethenyl 3-hydroxy-2-methylpropanoate has a molecular weight of 130.14 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 87161964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).