methyl 2-hydroxy-3-methylbut-3-enoate

C6H10O3 — CID 13461762

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

About methyl 2-hydroxy-3-methylbut-3-enoate

methyl 2-hydroxy-3-methylbut-3-enoate (PubChem CID 13461762) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl 2-hydroxy-3-methylbut-3-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-methylbut-3-enoate
PubChem CID13461762
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl 2-hydroxy-3-methylbut-3-enoate
SMILESC=C(C)C(O)C(=O)OC
InChIInChI=1S/C6H10O3/c1-4(2)5(7)6(8)9-3/h5,7H,1H2,2-3H3
InChIKeyXKJWUMFWOHOXIQ-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-hydroxybut-3-enoate
CID 545123
3-Butenoic acid, 2-hydroxy-3-methyl-, ethyl ester
CID 10855589
methyl (2R)-2-hydroxypent-4-enoate
CID 13397315
Methyl 2-hydroxypent-4-enoate
CID 13397314
methyl (R)-2-hydroxy-4-methyl-4-pentenoate
CID 14818200
Methyl hydroxyfuranone
CID 19877455
2-Hydroxy-3-methylbut-3-enoic acid
CID 21475708
2-(3-Methylbut-3-enoxy)propanoic acid
CID 13541499
methyl (2S)-2-hydroxy-3,6,6-trimethylhepta-3,4-dienoate
CID 102376963
Butyl 2-hydroxy-3-methylpenta-3,4-dienoate
CID 154719430
2-Hydroxypropyl 3-methylbut-3-enoate
CID 73555677
(2R)-2-hydroxy-3-methylbut-3-enoic acid
CID 10176128

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-methylbut-3-enoate?
The IUPAC name of methyl 2-hydroxy-3-methylbut-3-enoate (CID 13461762) is methyl 2-hydroxy-3-methylbut-3-enoate.
What is the SMILES notation for methyl 2-hydroxy-3-methylbut-3-enoate?
The canonical SMILES for methyl 2-hydroxy-3-methylbut-3-enoate is C=C(C)C(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-methylbut-3-enoate?
The InChIKey is XKJWUMFWOHOXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(2)5(7)6(8)9-3/h5,7H,1H2,2-3H3.
What are the key properties of methyl 2-hydroxy-3-methylbut-3-enoate?
methyl 2-hydroxy-3-methylbut-3-enoate 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 2-hydroxy-3-methylbut-3-enoate is sourced from PubChem (CID 13461762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).