methyl 3-hydroxy-2-methylidenebutanoate

C6H10O3 — CID 5080248

IUPACmethyl 3-hydroxy-2-methylidenebutanoate
SMILESC=C(C(=O)OC)C(C)O
InChIInChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h5,7H,1H2,2-3H3
InChIKeyVLCAYQIMSMPEBW-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.10
Rot. Bonds2

About methyl 3-hydroxy-2-methylidenebutanoate

methyl 3-hydroxy-2-methylidenebutanoate (PubChem CID 5080248) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methylidenebutanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methylidenebutanoate
PubChem CID5080248
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl 3-hydroxy-2-methylidenebutanoate
SMILESC=C(C(=O)OC)C(C)O
InChIInChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h5,7H,1H2,2-3H3
InChIKeyVLCAYQIMSMPEBW-UHFFFAOYSA-N
XLogP0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methylidenebutanoate?
The IUPAC name of methyl 3-hydroxy-2-methylidenebutanoate (CID 5080248) is methyl 3-hydroxy-2-methylidenebutanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methylidenebutanoate?
The canonical SMILES for methyl 3-hydroxy-2-methylidenebutanoate is C=C(C(=O)OC)C(C)O.
What is the InChIKey of methyl 3-hydroxy-2-methylidenebutanoate?
The InChIKey is VLCAYQIMSMPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h5,7H,1H2,2-3H3.
What are the key properties of methyl 3-hydroxy-2-methylidenebutanoate?
methyl 3-hydroxy-2-methylidenebutanoate has a molecular weight of 130.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methylidenebutanoate is sourced from PubChem (CID 5080248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).