bis(trimethylsilyl) 3,3-dimethylpentanedioate

C13H28O4Si2 — CID 521694

IUPACbis(trimethylsilyl) 3,3-dimethylpentanedioate
SMILESCC(C)(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-13(2,9-11(14)16-18(3,4)5)10-12(15)17-19(6,7)8/h9-10H2,1-8H3
InChIKeyBOQKCPUOQCUQAI-UHFFFAOYSA-N
MW304.54 g/mol
LogP3.55
Rot. Bonds6

About bis(trimethylsilyl) 3,3-dimethylpentanedioate

bis(trimethylsilyl) 3,3-dimethylpentanedioate (PubChem CID 521694) has the molecular formula C13H28O4Si2 and a molecular weight of 304.54 g/mol. Its IUPAC name is bis(trimethylsilyl) 3,3-dimethylpentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3,3-dimethylpentanedioate
PubChem CID521694
Molecular FormulaC13H28O4Si2
Molecular Weight304.54 g/mol
Exact Mass304.15
IUPAC Namebis(trimethylsilyl) 3,3-dimethylpentanedioate
SMILESCC(C)(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-13(2,9-11(14)16-18(3,4)5)10-12(15)17-19(6,7)8/h9-10H2,1-8H3
InChIKeyBOQKCPUOQCUQAI-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 53.55
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

Pentanedioic acid, bis(trimethylsilyl) ester
CID 521625
Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521632
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
3-isopropyl pentanedioic acid, TMS ester
CID 91749507
2,2-Dimethylglutaric acid, TBDMS
CID 91752558
4,4-Dimethyl mono-methylglutarate, trimethylsilyl ester
CID 552321
Pentanedioic acid, 2,2,3-trimethyl-, bis(trimethylsilyl) ester
CID 552453
Glutaric acid, 3-ethyl-, bis(trimethylsilyl) ester
CID 553042
Bis[ethyl(dimethyl)silyl] pentanedioate
CID 88008261
Disilyl 2,2,3,3,4,4-hexamethylpentanedioate
CID 123420830
Bis(dimethylsilyl) pentanedioate
CID 173080734

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3,3-dimethylpentanedioate?
The IUPAC name of bis(trimethylsilyl) 3,3-dimethylpentanedioate (CID 521694) is bis(trimethylsilyl) 3,3-dimethylpentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3,3-dimethylpentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3,3-dimethylpentanedioate is CC(C)(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3,3-dimethylpentanedioate?
The InChIKey is BOQKCPUOQCUQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si2/c1-13(2,9-11(14)16-18(3,4)5)10-12(15)17-19(6,7)8/h9-10H2,1-8H3.
What are the key properties of bis(trimethylsilyl) 3,3-dimethylpentanedioate?
bis(trimethylsilyl) 3,3-dimethylpentanedioate has a molecular weight of 304.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3,3-dimethylpentanedioate is sourced from PubChem (CID 521694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).