[3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate

C19H36O5Si — CID 70118388

IUPAC[3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate
SMILESCC(=O)OC1CC(OC(=O)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O5Si/c1-13(20)22-14-10-15(23-17(21)18(2,3)4)12-16(11-14)24-25(8,9)19(5,6)7/h14-16H,10-12H2,1-9H3
InChIKeyVXVXQWRXOPWEEA-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.45
Rot. Bonds4

About [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate

[3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate (PubChem CID 70118388) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate
PubChem CID70118388
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate
SMILESCC(=O)OC1CC(OC(=O)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O5Si/c1-13(20)22-14-10-15(23-17(21)18(2,3)4)12-16(11-14)24-25(8,9)19(5,6)7/h14-16H,10-12H2,1-9H3
InChIKeyVXVXQWRXOPWEEA-UHFFFAOYSA-N
XLogP4.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate (CID 70118388) is [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate is CC(=O)OC1CC(OC(=O)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
The InChIKey is VXVXQWRXOPWEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-13(20)22-14-10-15(23-17(21)18(2,3)4)12-16(11-14)24-25(8,9)19(5,6)7/h14-16H,10-12H2,1-9H3.
What are the key properties of [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
[3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate has a molecular weight of 372.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 70118388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).