1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate

C7H12O4Si — CID 173066966

IUPAC1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate
SMILESCOC(=O)/C(C)=C(/C)C(=O)O[SiH3]
InChIInChI=1S/C7H12O4Si/c1-4(6(8)10-3)5(2)7(9)11-12/h1-3,12H3/b5-4-
InChIKeyWAMDCEJVSZUNBE-PLNGDYQASA-N
MW188.25 g/mol
LogP-0.68
Rot. Bonds2

About 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate

1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate (PubChem CID 173066966) has the molecular formula C7H12O4Si and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate
PubChem CID173066966
Molecular FormulaC7H12O4Si
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate
SMILESCOC(=O)/C(C)=C(/C)C(=O)O[SiH3]
InChIInChI=1S/C7H12O4Si/c1-4(6(8)10-3)5(2)7(9)11-12/h1-3,12H3/b5-4-
InChIKeyWAMDCEJVSZUNBE-PLNGDYQASA-N
XLogP-0.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate?
The IUPAC name of 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate (CID 173066966) is 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate.
What is the SMILES notation for 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate?
The canonical SMILES for 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate is COC(=O)/C(C)=C(/C)C(=O)O[SiH3].
What is the InChIKey of 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate?
The InChIKey is WAMDCEJVSZUNBE-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12O4Si/c1-4(6(8)10-3)5(2)7(9)11-12/h1-3,12H3/b5-4-.
What are the key properties of 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate?
1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate has a molecular weight of 188.25 g/mol, XLogP of -0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-silyl (Z)-2,3-dimethylbut-2-enedioate is sourced from PubChem (CID 173066966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).