bis(trimethylsilyl) 3-methylhexanedioate

C13H28O4Si2 — CID 521639

IUPACbis(trimethylsilyl) 3-methylhexanedioate
SMILESCC(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-11(10-13(15)17-19(5,6)7)8-9-12(14)16-18(2,3)4/h11H,8-10H2,1-7H3
InChIKeyIDHDZCKJOKHATB-UHFFFAOYSA-N
MW304.54 g/mol
LogP3.55
Rot. Bonds7

About bis(trimethylsilyl) 3-methylhexanedioate

bis(trimethylsilyl) 3-methylhexanedioate (PubChem CID 521639) has the molecular formula C13H28O4Si2 and a molecular weight of 304.54 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-methylhexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-methylhexanedioate
PubChem CID521639
Molecular FormulaC13H28O4Si2
Molecular Weight304.54 g/mol
Exact Mass304.15
IUPAC Namebis(trimethylsilyl) 3-methylhexanedioate
SMILESCC(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-11(10-13(15)17-19(5,6)7)8-9-12(14)16-18(2,3)4/h11H,8-10H2,1-7H3
InChIKeyIDHDZCKJOKHATB-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-methylhexanedioate?
The IUPAC name of bis(trimethylsilyl) 3-methylhexanedioate (CID 521639) is bis(trimethylsilyl) 3-methylhexanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-methylhexanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-methylhexanedioate is CC(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-methylhexanedioate?
The InChIKey is IDHDZCKJOKHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si2/c1-11(10-13(15)17-19(5,6)7)8-9-12(14)16-18(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 3-methylhexanedioate?
bis(trimethylsilyl) 3-methylhexanedioate has a molecular weight of 304.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-methylhexanedioate is sourced from PubChem (CID 521639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).