methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate

C15H30O3Si — CID 86695195

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(6,7)18-12-8-10-15(4,11-9-12)13(16)17-5/h12H,8-11H2,1-7H3
InChIKeyBTYOJTLTODXYFU-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.13
Rot. Bonds3

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate (PubChem CID 86695195) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate
PubChem CID86695195
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(C)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(6,7)18-12-8-10-15(4,11-9-12)13(16)17-5/h12H,8-11H2,1-7H3
InChIKeyBTYOJTLTODXYFU-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate (CID 86695195) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate is COC(=O)C1(C)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
The InChIKey is BTYOJTLTODXYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-14(2,3)19(6,7)18-12-8-10-15(4,11-9-12)13(16)17-5/h12H,8-11H2,1-7H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate has a molecular weight of 286.49 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 86695195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).