[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate

C14H28O4Si — CID 18459102

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
SMILESCC(=O)OC1CC(O)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O4Si/c1-10(15)17-12-7-11(16)8-13(9-12)18-19(5,6)14(2,3)4/h11-13,16H,7-9H2,1-6H3
InChIKeyHQZZZBAXPMRXNA-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.85
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate

[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate (PubChem CID 18459102) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
PubChem CID18459102
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
SMILESCC(=O)OC1CC(O)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O4Si/c1-10(15)17-12-7-11(16)8-13(9-12)18-19(5,6)14(2,3)4/h11-13,16H,7-9H2,1-6H3
InChIKeyHQZZZBAXPMRXNA-UHFFFAOYSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate (CID 18459102) is [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate is CC(=O)OC1CC(O)CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
The InChIKey is HQZZZBAXPMRXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10(15)17-12-7-11(16)8-13(9-12)18-19(5,6)14(2,3)4/h11-13,16H,7-9H2,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate?
[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate has a molecular weight of 288.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate is sourced from PubChem (CID 18459102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).