4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate

C11H18O6Si — CID 173141328

IUPAC4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate
SMILESCOC(=O)/C=C\C(=O)OC(C)(C)C(C)C(=O)O[SiH3]
InChIInChI=1S/C11H18O6Si/c1-7(10(14)17-18)11(2,3)16-9(13)6-5-8(12)15-4/h5-7H,1-4,18H3/b6-5-
InChIKeySSWUMFNTRIKZLH-WAYWQWQTSA-N
MW274.35 g/mol
LogP-0.50
Rot. Bonds5

About 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate

4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate (PubChem CID 173141328) has the molecular formula C11H18O6Si and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate.

Molecular Properties

Compound Name4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate
PubChem CID173141328
Molecular FormulaC11H18O6Si
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate
SMILESCOC(=O)/C=C\C(=O)OC(C)(C)C(C)C(=O)O[SiH3]
InChIInChI=1S/C11H18O6Si/c1-7(10(14)17-18)11(2,3)16-9(13)6-5-8(12)15-4/h5-7H,1-4,18H3/b6-5-
InChIKeySSWUMFNTRIKZLH-WAYWQWQTSA-N
XLogP-0.50
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate with MolForge

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Related Compounds

bis(2,3,4-trimethylpentan-2-yl) (Z)-but-2-enedioate
CID 88826242
1-O-methyl 4-O-(trifluoromethyl) (Z)-but-2-enedioate
CID 150478604
(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88826298
methyl (4S)-4-aminopent-2-enoate
CID 91583994
CID 160615105
CID 160615105
methyl (E)-5-methyl-4-oxohex-2-enoate
CID 11084121
4-O-(1-ethoxycarbonyloxyethyl) 1-O-methyl but-2-enedioate
CID 72529787
4-O-[2-(2,2-dimethylpropanoylamino)propyl] 1-O-methyl (E)-but-2-enedioate
CID 126492262
methyl 2,3,3-trimethyl-4-oxobutanoate
CID 13268643
methyl 4-bromopent-2-enoate
CID 54128087
bis(1,1-dimethoxyethyl) (Z)-but-2-enedioate
CID 87306237
4-O-(3,3-dimethylbutyl) 1-O-methyl (E)-but-2-enedioate
CID 89022294

Frequently Asked Questions

What is the IUPAC name of 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate?
The IUPAC name of 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate (CID 173141328) is 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate.
What is the SMILES notation for 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate?
The canonical SMILES for 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate is COC(=O)/C=C\C(=O)OC(C)(C)C(C)C(=O)O[SiH3].
What is the InChIKey of 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate?
The InChIKey is SSWUMFNTRIKZLH-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H18O6Si/c1-7(10(14)17-18)11(2,3)16-9(13)6-5-8(12)15-4/h5-7H,1-4,18H3/b6-5-.
What are the key properties of 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate?
4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate has a molecular weight of 274.35 g/mol, XLogP of -0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2,3-dimethyl-4-oxo-4-silyloxybutan-2-yl) 1-O-methyl (Z)-but-2-enedioate is sourced from PubChem (CID 173141328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).