methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate

C6H10O4 — CID 15971438

IUPACmethyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(O)OC
InChIInChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h7H,1-3H3
InChIKeyYSCHHWMLJCBXCD-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.60
Rot. Bonds2

About methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate

methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate (PubChem CID 15971438) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
PubChem CID15971438
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(O)OC
InChIInChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h7H,1-3H3
InChIKeyYSCHHWMLJCBXCD-UHFFFAOYSA-N
XLogP0.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
dimethyl oxalate
CID 11120
dimethyl (E)-2,3-dihydroxybut-2-enedioate
CID 54699194
dimethyl 2,3-dihydroxybut-2-enedioate
CID 54697656
sodium 1,3-dimethoxy-2-methyl-3-oxoprop-1-en-1-olate
CID 23691555
methyl (E)-2,3,4-trimethylpent-2-enoate
CID 122645067
dimethyl oxalate;hydrochloride
CID 172754902
methyl (Z)-3-(methoxycarbonylamino)-2-methylbut-2-enoate
CID 59881195
methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
CID 166928500
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
ethane;methyl 2-oxopropanoate
CID 142946473
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate?
The IUPAC name of methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate (CID 15971438) is methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate is COC(=O)C(C)=C(O)OC.
What is the InChIKey of methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate?
The InChIKey is YSCHHWMLJCBXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h7H,1-3H3.
What are the key properties of methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate?
methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate has a molecular weight of 146.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate is sourced from PubChem (CID 15971438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).