methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate

C15H30O3Si — CID 15370681

IUPACmethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
SMILESCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(5,6)18-15(12-13(16)17-4)10-8-7-9-11-15/h7-12H2,1-6H3
InChIKeyHGATWEKMOVGHPL-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.27
Rot. Bonds4

About methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate

methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate (PubChem CID 15370681) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
PubChem CID15370681
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
SMILESCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(5,6)18-15(12-13(16)17-4)10-8-7-9-11-15/h7-12H2,1-6H3
InChIKeyHGATWEKMOVGHPL-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The IUPAC name of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate (CID 15370681) is methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate is COC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCCCC1.
What is the InChIKey of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The InChIKey is HGATWEKMOVGHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-14(2,3)19(5,6)18-15(12-13(16)17-4)10-8-7-9-11-15/h7-12H2,1-6H3.
What are the key properties of methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate has a molecular weight of 286.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate is sourced from PubChem (CID 15370681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).