[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate

C14H28O3Si — CID 21335010

IUPAC[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)OC1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O3Si/c1-11(15)16-12-8-7-9-13(10-12)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3
InChIKeyLZULYTSZJXUZQR-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.88
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate

[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (PubChem CID 21335010) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
PubChem CID21335010
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)OC1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O3Si/c1-11(15)16-12-8-7-9-13(10-12)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3
InChIKeyLZULYTSZJXUZQR-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

(1R,3S,5S)-3-(tert-butyl-dimethyl-silanoxy)-5-hydroxy-cyclohex-1-yl acetate
CID 11289225
Vxvxqwrxopweea-bzuaxinksa-
CID 23245523
Qtmopnnkkfvitk-ziagygmssa-
CID 23245526
[(1S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
CID 10266144
[(1R,3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 10314601
[3-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
CID 18459102
[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 59890637
[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 59890638
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate
CID 69344071
(1R,3R,5S)-2,2-dimethyl-propionic acid 3-acetoxy-5-(tert-butyl-dimethyl-silanyloxy)-cyclohexyl ester
CID 69853443
[3-Acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate
CID 70118388
[(1R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
CID 89837507

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (CID 21335010) is [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is CC(=O)OC1CCCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The InChIKey is LZULYTSZJXUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11(15)16-12-8-7-9-13(10-12)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate has a molecular weight of 272.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is sourced from PubChem (CID 21335010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).