[tert-butyl(dimethyl)silyl] heptanoate

C13H28O2Si — CID 528098

IUPAC[tert-butyl(dimethyl)silyl] heptanoate
SMILESCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-8-9-10-11-12(14)15-16(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyRHWPBALXGUQVAC-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.51
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] heptanoate

[tert-butyl(dimethyl)silyl] heptanoate (PubChem CID 528098) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] heptanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] heptanoate
PubChem CID528098
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name[tert-butyl(dimethyl)silyl] heptanoate
SMILESCCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-8-9-10-11-12(14)15-16(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyRHWPBALXGUQVAC-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] heptanoate 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 [tert-butyl(dimethyl)silyl] heptanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] heptanoate (CID 528098) is [tert-butyl(dimethyl)silyl] heptanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] heptanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] heptanoate is CCCCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] heptanoate?
The InChIKey is RHWPBALXGUQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-8-9-10-11-12(14)15-16(5,6)13(2,3)4/h7-11H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] heptanoate?
[tert-butyl(dimethyl)silyl] heptanoate has a molecular weight of 244.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] heptanoate is sourced from PubChem (CID 528098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).