3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate

C17H34O2Si — CID 123331597

IUPAC3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate
SMILESCC1CC(C(C)C(=O)OCCC[Si](C)(C)C)C(C)(C)C1
InChIInChI=1S/C17H34O2Si/c1-13-11-15(17(3,4)12-13)14(2)16(18)19-9-8-10-20(5,6)7/h13-15H,8-12H2,1-7H3
InChIKeyWGVSPYINCOBPDZ-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.97
Rot. Bonds6

About 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate

3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate (PubChem CID 123331597) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate.

Molecular Properties

Compound Name3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate
PubChem CID123331597
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate
SMILESCC1CC(C(C)C(=O)OCCC[Si](C)(C)C)C(C)(C)C1
InChIInChI=1S/C17H34O2Si/c1-13-11-15(17(3,4)12-13)14(2)16(18)19-9-8-10-20(5,6)7/h13-15H,8-12H2,1-7H3
InChIKeyWGVSPYINCOBPDZ-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.97
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 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate 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 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate?
The IUPAC name of 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate (CID 123331597) is 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate.
What is the SMILES notation for 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate?
The canonical SMILES for 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate is CC1CC(C(C)C(=O)OCCC[Si](C)(C)C)C(C)(C)C1.
What is the InChIKey of 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate?
The InChIKey is WGVSPYINCOBPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-13-11-15(17(3,4)12-13)14(2)16(18)19-9-8-10-20(5,6)7/h13-15H,8-12H2,1-7H3.
What are the key properties of 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate?
3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate has a molecular weight of 298.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate is sourced from PubChem (CID 123331597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).