bis(trimethylsilyl) 3-methyloctanedioate

C15H32O4Si2 — CID 91751176

IUPACbis(trimethylsilyl) 3-methyloctanedioate
SMILESCC(CCCCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-13(12-15(17)19-21(5,6)7)10-8-9-11-14(16)18-20(2,3)4/h13H,8-12H2,1-7H3
InChIKeyYQPFQOWKBDTBKD-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.33
Rot. Bonds9

About bis(trimethylsilyl) 3-methyloctanedioate

bis(trimethylsilyl) 3-methyloctanedioate (PubChem CID 91751176) has the molecular formula C15H32O4Si2 and a molecular weight of 332.59 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-methyloctanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-methyloctanedioate
PubChem CID91751176
Molecular FormulaC15H32O4Si2
Molecular Weight332.59 g/mol
Exact Mass332.18
IUPAC Namebis(trimethylsilyl) 3-methyloctanedioate
SMILESCC(CCCCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-13(12-15(17)19-21(5,6)7)10-8-9-11-14(16)18-20(2,3)4/h13H,8-12H2,1-7H3
InChIKeyYQPFQOWKBDTBKD-UHFFFAOYSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester
CID 116673
Bis(trimethylsilyl) sebacate
CID 519558
Octanedioic acid, bis(trimethylsilyl) ester
CID 521138
Bis(trimethylsilyl) azelaate
CID 519492
Trimethylsilyl cyclohexanecarboxylate
CID 522350
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
Bis(trimethylsilyl) undecanedioate
CID 552527
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Dodecanedioic acid, bis(trimethylsilyl) ester
CID 519943
1,14-Tetradecandioic acid, bis(trimethylsilyl) ester
CID 523706
2-Methylpentadecanoic acid trimethylsilylester
CID 91747655
Trimethylsilyl 3,7,11,15-tetramethylhexadecanoate
CID 594295

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-methyloctanedioate?
The IUPAC name of bis(trimethylsilyl) 3-methyloctanedioate (CID 91751176) is bis(trimethylsilyl) 3-methyloctanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-methyloctanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-methyloctanedioate is CC(CCCCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-methyloctanedioate?
The InChIKey is YQPFQOWKBDTBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si2/c1-13(12-15(17)19-21(5,6)7)10-8-9-11-14(16)18-20(2,3)4/h13H,8-12H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 3-methyloctanedioate?
bis(trimethylsilyl) 3-methyloctanedioate has a molecular weight of 332.59 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-methyloctanedioate is sourced from PubChem (CID 91751176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).