[tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate

C13H24O2Si — CID 24884880

IUPAC[tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1=CCCCC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h9H,6-8,10H2,1-5H3
InChIKeyUEVDJJJKQPGQPA-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.04
Rot. Bonds2

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

[tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate (PubChem CID 24884880) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate
PubChem CID24884880
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name[tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1=CCCCC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h9H,6-8,10H2,1-5H3
InChIKeyUEVDJJJKQPGQPA-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(dimethyl)silyl] cyclohexene-1-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate (CID 24884880) is [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1=CCCCC1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate?
The InChIKey is UEVDJJJKQPGQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12(14)11-9-7-6-8-10-11/h9H,6-8,10H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate?
[tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] cyclohexene-1-carboxylate is sourced from PubChem (CID 24884880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).