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

C17H34O3Si — CID 58231002

IUPACtert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O3Si/c1-16(2,3)19-15(18)13-9-11-14(12-10-13)20-21(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyIJSNLONKWGCRLY-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.91
Rot. Bonds3

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

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (PubChem CID 58231002) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
PubChem CID58231002
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O3Si/c1-16(2,3)19-15(18)13-9-11-14(12-10-13)20-21(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyIJSNLONKWGCRLY-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.91
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 tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (CID 58231002) is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The InChIKey is IJSNLONKWGCRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-16(2,3)19-15(18)13-9-11-14(12-10-13)20-21(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3.
What are the key properties of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate has a molecular weight of 314.54 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 58231002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).