bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate

C19H40O4Si2 — CID 91752558

IUPACbis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate
SMILESCC(C)(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-17(2,3)24(9,10)22-15(20)13-14-19(7,8)16(21)23-25(11,12)18(4,5)6/h13-14H2,1-12H3
InChIKeyIQIXESCUEIPTRG-UHFFFAOYSA-N
MW388.70 g/mol
LogP5.89
Rot. Bonds6

About bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate

bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate (PubChem CID 91752558) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate
PubChem CID91752558
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate
SMILESCC(C)(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-17(2,3)24(9,10)22-15(20)13-14-19(7,8)16(21)23-25(11,12)18(4,5)6/h13-14H2,1-12H3
InChIKeyIQIXESCUEIPTRG-UHFFFAOYSA-N
XLogP5.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.89
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] pentanedioate
CID 552518
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
Bis(trimethylsilyl) 3,3-dimethylpentanedioate
CID 521694
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
Methylcitric acid, TBDMS # 1
CID 91752642
4,4-Dimethyl mono-methylglutarate, trimethylsilyl ester
CID 552321
Pentanedioic acid, 2,2,3-trimethyl-, bis(trimethylsilyl) ester
CID 552453
Methyl 5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]-2-ethyl-2,4,4-trimethylpentanoate
CID 53784532
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate
CID 59046597
Triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
CID 86039074
Triethylsilyl 5-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate
CID 86039078
Triethylsilyl 4-[ethoxy(dimethyl)silyl]-2,2-dimethylpentanoate
CID 86039083

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate (CID 91752558) is bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate is CC(C)(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate?
The InChIKey is IQIXESCUEIPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-17(2,3)24(9,10)22-15(20)13-14-19(7,8)16(21)23-25(11,12)18(4,5)6/h13-14H2,1-12H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate?
bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate has a molecular weight of 388.70 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpentanedioate is sourced from PubChem (CID 91752558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).