bis(trimethylsilyl) 3-propan-2-ylpentanedioate

C14H30O4Si2 — CID 91749507

IUPACbis(trimethylsilyl) 3-propan-2-ylpentanedioate
SMILESCC(C)C(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-11(2)12(9-13(15)17-19(3,4)5)10-14(16)18-20(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeyKTSSUCQZUPNPMW-UHFFFAOYSA-N
MW318.56 g/mol
LogP3.80
Rot. Bonds7

About bis(trimethylsilyl) 3-propan-2-ylpentanedioate

bis(trimethylsilyl) 3-propan-2-ylpentanedioate (PubChem CID 91749507) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-propan-2-ylpentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-propan-2-ylpentanedioate
PubChem CID91749507
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Namebis(trimethylsilyl) 3-propan-2-ylpentanedioate
SMILESCC(C)C(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-11(2)12(9-13(15)17-19(3,4)5)10-14(16)18-20(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeyKTSSUCQZUPNPMW-UHFFFAOYSA-N
XLogP3.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.80
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
Tris(trimethylsilyl) 1,2,3-propanetricarboxylate
CID 530425
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
Bis(trimethylsilyl) 3,3-dimethylpentanedioate
CID 521694
Hexane-1,3-dicarboxylic acid, bis(trimethylsilyl) ester
CID 523702
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
METHYLCITRIC ACID (I) diTMS
CID 91749483
3-acetyl pentanedioic acid, TMS ester
CID 91749506
Methylcitric acid, TBDMS # 1
CID 91752642
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440
2,3,4-Trimethyl-3-hydroxyglutaric acid, O,O',O'-tris9trimethylsilyl)-
CID 552441

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-propan-2-ylpentanedioate?
The IUPAC name of bis(trimethylsilyl) 3-propan-2-ylpentanedioate (CID 91749507) is bis(trimethylsilyl) 3-propan-2-ylpentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-propan-2-ylpentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-propan-2-ylpentanedioate is CC(C)C(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-propan-2-ylpentanedioate?
The InChIKey is KTSSUCQZUPNPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-11(2)12(9-13(15)17-19(3,4)5)10-14(16)18-20(6,7)8/h11-12H,9-10H2,1-8H3.
What are the key properties of bis(trimethylsilyl) 3-propan-2-ylpentanedioate?
bis(trimethylsilyl) 3-propan-2-ylpentanedioate has a molecular weight of 318.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-propan-2-ylpentanedioate is sourced from PubChem (CID 91749507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).