[tert-butyl(dimethyl)silyl] 2-cyclohexylacetate

C14H28O2Si — CID 91732587

IUPAC[tert-butyl(dimethyl)silyl] 2-cyclohexylacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13(15)11-12-9-7-6-8-10-12/h12H,6-11H2,1-5H3
InChIKeyWAZGOSZERCGJOV-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.51
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate

[tert-butyl(dimethyl)silyl] 2-cyclohexylacetate (PubChem CID 91732587) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-cyclohexylacetate
PubChem CID91732587
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name[tert-butyl(dimethyl)silyl] 2-cyclohexylacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13(15)11-12-9-7-6-8-10-12/h12H,6-11H2,1-5H3
InChIKeyWAZGOSZERCGJOV-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate 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] 2-cyclohexylacetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate (CID 91732587) is [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate is CC(C)(C)[Si](C)(C)OC(=O)CC1CCCCC1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate?
The InChIKey is WAZGOSZERCGJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13(15)11-12-9-7-6-8-10-12/h12H,6-11H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate?
[tert-butyl(dimethyl)silyl] 2-cyclohexylacetate has a molecular weight of 256.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-cyclohexylacetate is sourced from PubChem (CID 91732587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).