ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate

C17H34O3Si — CID 46894815

IUPACethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate
SMILESCCOC(=O)C[C@@]1(O[Si](C)(C)C(C)(C)C)CCCC[C@@H]1C
InChIInChI=1S/C17H34O3Si/c1-8-19-15(18)13-17(12-10-9-11-14(17)2)20-21(6,7)16(3,4)5/h14H,8-13H2,1-7H3/t14-,17-/m0/s1
InChIKeyCOXMPIMEEPUCSY-YOEHRIQHSA-N
MW314.54 g/mol
LogP4.91
Rot. Bonds5

About ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate

ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate (PubChem CID 46894815) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate
PubChem CID46894815
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate
SMILESCCOC(=O)C[C@@]1(O[Si](C)(C)C(C)(C)C)CCCC[C@@H]1C
InChIInChI=1S/C17H34O3Si/c1-8-19-15(18)13-17(12-10-9-11-14(17)2)20-21(6,7)16(3,4)5/h14H,8-13H2,1-7H3/t14-,17-/m0/s1
InChIKeyCOXMPIMEEPUCSY-YOEHRIQHSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.91
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

Tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate
CID 175965326
methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate
CID 10967187
Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxycyclohexyl]acetate
CID 122374939
Methyl (R)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990780
Methyl (S)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990803
ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylpentanoate
CID 145865791
2-Trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 59599000
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-ethylcyclohexane-1-carboxylate
CID 68110454
Ethyl 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanoate
CID 68153772
trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
CID 86601789
Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 140784094
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate
CID 141338567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate?
The IUPAC name of ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate (CID 46894815) is ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate is CCOC(=O)C[C@@]1(O[Si](C)(C)C(C)(C)C)CCCC[C@@H]1C.
What is the InChIKey of ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate?
The InChIKey is COXMPIMEEPUCSY-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-19-15(18)13-17(12-10-9-11-14(17)2)20-21(6,7)16(3,4)5/h14H,8-13H2,1-7H3/t14-,17-/m0/s1.
What are the key properties of ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate?
ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate has a molecular weight of 314.54 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexyl]acetate is sourced from PubChem (CID 46894815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).