bis(trimethylsilyl) dodecanedioate

C18H38O4Si2 — CID 519943

IUPACbis(trimethylsilyl) dodecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h7-16H2,1-6H3
InChIKeyRJYFZCUYOIINDS-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.64
Rot. Bonds13

About bis(trimethylsilyl) dodecanedioate

bis(trimethylsilyl) dodecanedioate (PubChem CID 519943) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is bis(trimethylsilyl) dodecanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) dodecanedioate
PubChem CID519943
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namebis(trimethylsilyl) dodecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h7-16H2,1-6H3
InChIKeyRJYFZCUYOIINDS-UHFFFAOYSA-N
XLogP5.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.64
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) dodecanedioate 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) dodecanedioate?
The IUPAC name of bis(trimethylsilyl) dodecanedioate (CID 519943) is bis(trimethylsilyl) dodecanedioate.
What is the SMILES notation for bis(trimethylsilyl) dodecanedioate?
The canonical SMILES for bis(trimethylsilyl) dodecanedioate is C[Si](C)(C)OC(=O)CCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) dodecanedioate?
The InChIKey is RJYFZCUYOIINDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h7-16H2,1-6H3.
What are the key properties of bis(trimethylsilyl) dodecanedioate?
bis(trimethylsilyl) dodecanedioate has a molecular weight of 374.67 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) dodecanedioate is sourced from PubChem (CID 519943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).