ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate

C15H30O3Si — CID 23144129

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-7-17-14(16)12-8-10-13(11-9-12)18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyVFEJEBVELPDVHI-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.13
Rot. Bonds4

About ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (PubChem CID 23144129) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
PubChem CID23144129
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H30O3Si/c1-7-17-14(16)12-8-10-13(11-9-12)18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyVFEJEBVELPDVHI-UHFFFAOYSA-N
XLogP4.13
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 ≤ 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 ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (CID 23144129) is ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is CCOC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The InChIKey is VFEJEBVELPDVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-17-14(16)12-8-10-13(11-9-12)18-19(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate has a molecular weight of 286.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 23144129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).