1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate

C12H22O4Si — CID 19063309

IUPAC1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC)C(=O)O[Si](C)(C)CCCC
InChIInChI=1S/C12H22O4Si/c1-6-7-8-17(4,5)16-12(14)10(2)9-11(13)15-3/h2,6-9H2,1,3-5H3
InChIKeyGILQBPDBPDOVFV-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.65
Rot. Bonds7

About 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate

1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate (PubChem CID 19063309) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate.

Molecular Properties

Compound Name1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate
PubChem CID19063309
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC)C(=O)O[Si](C)(C)CCCC
InChIInChI=1S/C12H22O4Si/c1-6-7-8-17(4,5)16-12(14)10(2)9-11(13)15-3/h2,6-9H2,1,3-5H3
InChIKeyGILQBPDBPDOVFV-UHFFFAOYSA-N
XLogP2.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.65
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-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate?
The IUPAC name of 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate (CID 19063309) is 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate.
What is the SMILES notation for 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate?
The canonical SMILES for 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate is C=C(CC(=O)OC)C(=O)O[Si](C)(C)CCCC.
What is the InChIKey of 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate?
The InChIKey is GILQBPDBPDOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-6-7-8-17(4,5)16-12(14)10(2)9-11(13)15-3/h2,6-9H2,1,3-5H3.
What are the key properties of 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate?
1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate has a molecular weight of 258.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[butyl(dimethyl)silyl] 4-O-methyl 2-methylidenebutanedioate is sourced from PubChem (CID 19063309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).