bis(trimethylsilyl) heptanedioate

C13H28O4Si2 — CID 521645

IUPACbis(trimethylsilyl) heptanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-18(2,3)16-12(14)10-8-7-9-11-13(15)17-19(4,5)6/h7-11H2,1-6H3
InChIKeyVOLKRTUGJXKFMI-UHFFFAOYSA-N
MW304.53 g/mol
LogP3.69
Rot. Bonds8

About bis(trimethylsilyl) heptanedioate

bis(trimethylsilyl) heptanedioate (PubChem CID 521645) has the molecular formula C13H28O4Si2 and a molecular weight of 304.53 g/mol. Its IUPAC name is bis(trimethylsilyl) heptanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) heptanedioate
PubChem CID521645
Molecular FormulaC13H28O4Si2
Molecular Weight304.53 g/mol
Exact Mass304.15
IUPAC Namebis(trimethylsilyl) heptanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O4Si2/c1-18(2,3)16-12(14)10-8-7-9-11-13(15)17-19(4,5)6/h7-11H2,1-6H3
InChIKeyVOLKRTUGJXKFMI-UHFFFAOYSA-N
XLogP3.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 53.69
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'}

Analyze bis(trimethylsilyl) heptanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) heptanedioate?
The IUPAC name of bis(trimethylsilyl) heptanedioate (CID 521645) is bis(trimethylsilyl) heptanedioate.
What is the SMILES notation for bis(trimethylsilyl) heptanedioate?
The canonical SMILES for bis(trimethylsilyl) heptanedioate is C[Si](C)(C)OC(=O)CCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) heptanedioate?
The InChIKey is VOLKRTUGJXKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si2/c1-18(2,3)16-12(14)10-8-7-9-11-13(15)17-19(4,5)6/h7-11H2,1-6H3.
What are the key properties of bis(trimethylsilyl) heptanedioate?
bis(trimethylsilyl) heptanedioate has a molecular weight of 304.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) heptanedioate is sourced from PubChem (CID 521645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).