5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate

C12H24O4Si — CID 91733296

IUPAC5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate
SMILESCOC(=O)CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-11(14)9-7-8-10(13)15-4/h7-9H2,1-6H3
InChIKeyRBTBZKLLCRKELT-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.88
Rot. Bonds5

About 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate

5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate (PubChem CID 91733296) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate.

Molecular Properties

Compound Name5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate
PubChem CID91733296
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate
SMILESCOC(=O)CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-11(14)9-7-8-10(13)15-4/h7-9H2,1-6H3
InChIKeyRBTBZKLLCRKELT-UHFFFAOYSA-N
XLogP2.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate?
The IUPAC name of 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate (CID 91733296) is 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate.
What is the SMILES notation for 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate?
The canonical SMILES for 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate is COC(=O)CCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate?
The InChIKey is RBTBZKLLCRKELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(5,6)16-11(14)9-7-8-10(13)15-4/h7-9H2,1-6H3.
What are the key properties of 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate?
5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate has a molecular weight of 260.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[tert-butyl(dimethyl)silyl] 1-O-methyl pentanedioate is sourced from PubChem (CID 91733296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).