methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate

C6H10O4 — CID 23399040

IUPACmethyl (Z)-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/b5-4-
InChIKeyYSCHHWMLJCBXCD-PLNGDYQASA-N
MW146.14 g/mol
LogP0.60
Rot. Bonds2

About methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate

methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate (PubChem CID 23399040) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate
PubChem CID23399040
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl (Z)-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/b5-4-
InChIKeyYSCHHWMLJCBXCD-PLNGDYQASA-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'}

Analyze methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate?
The IUPAC name of methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate (CID 23399040) is methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate is COC(=O)/C(C)=C(/O)OC.
What is the InChIKey of methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate?
The InChIKey is YSCHHWMLJCBXCD-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h7H,1-3H3/b5-4-.
What are the key properties of methyl (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate?
methyl (Z)-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 (Z)-3-hydroxy-3-methoxy-2-methylprop-2-enoate is sourced from PubChem (CID 23399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).