4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate

C11H22O4Si — CID 87697847

IUPAC4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O4Si/c1-11(2,3)16(5,6)15-10(13)8-7-9(12)14-4/h7-8H2,1-6H3
InChIKeyYIHFWTORKJHJTL-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.49
Rot. Bonds4

About 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate

4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate (PubChem CID 87697847) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate.

Molecular Properties

Compound Name4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
PubChem CID87697847
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O4Si/c1-11(2,3)16(5,6)15-10(13)8-7-9(12)14-4/h7-8H2,1-6H3
InChIKeyYIHFWTORKJHJTL-UHFFFAOYSA-N
XLogP2.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
CID 91719359
[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
CID 23067022
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369
[tert-butyl(dimethyl)silyl] 3-[ethyl-[3-[methoxy(dimethyl)silyl]propyl]amino]propanoate
CID 88852191
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070

Frequently Asked Questions

What is the IUPAC name of 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate?
The IUPAC name of 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate (CID 87697847) is 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate.
What is the SMILES notation for 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate?
The canonical SMILES for 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate is COC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate?
The InChIKey is YIHFWTORKJHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-11(2,3)16(5,6)15-10(13)8-7-9(12)14-4/h7-8H2,1-6H3.
What are the key properties of 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate?
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate has a molecular weight of 246.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate is sourced from PubChem (CID 87697847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).