methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate

C15H30O3Si — CID 58668515

IUPACmethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-11-12-7-9-13(10-8-12)14(16)17-4/h12-13H,7-11H2,1-6H3
InChIKeyANLCYVBLGKEYIX-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.99
Rot. Bonds4

About methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate

methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate (PubChem CID 58668515) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate
PubChem CID58668515
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-11-12-7-9-13(10-8-12)14(16)17-4/h12-13H,7-11H2,1-6H3
InChIKeyANLCYVBLGKEYIX-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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]oxymethyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate (CID 58668515) is methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate?
The InChIKey is ANLCYVBLGKEYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-15(2,3)19(5,6)18-11-12-7-9-13(10-8-12)14(16)17-4/h12-13H,7-11H2,1-6H3.
What are the key properties of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate?
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylate has a molecular weight of 286.49 g/mol, XLogP of 3.99, 4 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]oxymethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 58668515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).