methyl 4-trimethylsilyloxycyclohexane-1-carboxylate

C11H22O3Si — CID 89469074

IUPACmethyl 4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C11H22O3Si/c1-13-11(12)9-5-7-10(8-6-9)14-15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyBOLCXNCZOMBUHW-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.57
Rot. Bonds3

About methyl 4-trimethylsilyloxycyclohexane-1-carboxylate

methyl 4-trimethylsilyloxycyclohexane-1-carboxylate (PubChem CID 89469074) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl 4-trimethylsilyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-trimethylsilyloxycyclohexane-1-carboxylate
PubChem CID89469074
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namemethyl 4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C11H22O3Si/c1-13-11(12)9-5-7-10(8-6-9)14-15(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyBOLCXNCZOMBUHW-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.57
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

Methyl 4-methoxycyclohexane-1-carboxylate
CID 53849879
Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate
CID 91636192
Methyl (1s,4s)-4-(pentyloxy)cyclohexane-1-carboxylate
CID 114450461
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
2-Trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 59001147
Methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate
CID 114450780
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
Ethyl 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate
CID 155600551
4-[Tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylic acid
CID 160305904
Methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate
CID 167102900
Ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate
CID 175510042
Trimethylsilyl 4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 533404

Frequently Asked Questions

What is the IUPAC name of methyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
The IUPAC name of methyl 4-trimethylsilyloxycyclohexane-1-carboxylate (CID 89469074) is methyl 4-trimethylsilyloxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-trimethylsilyloxycyclohexane-1-carboxylate is COC(=O)C1CCC(O[Si](C)(C)C)CC1.
What is the InChIKey of methyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
The InChIKey is BOLCXNCZOMBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-13-11(12)9-5-7-10(8-6-9)14-15(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
methyl 4-trimethylsilyloxycyclohexane-1-carboxylate has a molecular weight of 230.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-trimethylsilyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 89469074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).