methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate

C15H30O3Si — CID 140518568

IUPACmethyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
SMILESCOC(=O)C[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-13-9-7-8-12(10-13)11-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyXTNOLVYBODZVEH-QWHCGFSZSA-N
MW286.49 g/mol
LogP4.13
Rot. Bonds4

About methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate

methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate (PubChem CID 140518568) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
PubChem CID140518568
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
SMILESCOC(=O)C[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-13-9-7-8-12(10-13)11-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyXTNOLVYBODZVEH-QWHCGFSZSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methoxycyclohexyl)acetic acid
CID 12739780
methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
CID 10893326
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
Trimethylsilyl 4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 533404
Methyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 22167752
Methyl cis-4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 89469074
tert-Butyldimethylsilyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 91742243
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
Methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 85341340
Methyl 3-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 85341341
2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde
CID 101178619

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The IUPAC name of methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate (CID 140518568) is methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate.
What is the SMILES notation for methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The canonical SMILES for methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate is COC(=O)C[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
The InChIKey is XTNOLVYBODZVEH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-13-9-7-8-12(10-13)11-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate?
methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate has a molecular weight of 286.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate is sourced from PubChem (CID 140518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).