methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate

C16H32O3Si — CID 90041702

IUPACmethyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-12-11-13-7-9-14(10-8-13)15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyHRKFUIMMKQAOSV-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.38
Rot. Bonds5

About methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate

methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate (PubChem CID 90041702) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate
PubChem CID90041702
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Namemethyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(CCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-12-11-13-7-9-14(10-8-13)15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyHRKFUIMMKQAOSV-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.38
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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate (CID 90041702) is methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(CCO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate?
The InChIKey is HRKFUIMMKQAOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-16(2,3)20(5,6)19-12-11-13-7-9-14(10-8-13)15(17)18-4/h13-14H,7-12H2,1-6H3.
What are the key properties of methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate?
methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate has a molecular weight of 300.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 90041702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).