[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate

C15H28O4Si — CID 101153909

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)18-11-12-9-7-8-10-13(12)19-14(16)17-4/h9,13H,7-8,10-11H2,1-6H3
InChIKeyZLPVYUACOPWONT-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.27
Rot. Bonds4

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate (PubChem CID 101153909) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
PubChem CID101153909
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)18-11-12-9-7-8-10-13(12)19-14(16)17-4/h9,13H,7-8,10-11H2,1-6H3
InChIKeyZLPVYUACOPWONT-UHFFFAOYSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate (CID 101153909) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate is COC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
The InChIKey is ZLPVYUACOPWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)18-11-12-9-7-8-10-13(12)19-14(16)17-4/h9,13H,7-8,10-11H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate has a molecular weight of 300.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 101153909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).