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

C17H30O4Si — CID 101261288

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-7-12-19-16(18)21-15-11-9-8-10-14(15)13-20-22(5,6)17(2,3)4/h7,10,15H,1,8-9,11-13H2,2-6H3
InChIKeyXOYJLAKEDBYMEK-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.83
Rot. Bonds6

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

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate (PubChem CID 101261288) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate
PubChem CID101261288
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-7-12-19-16(18)21-15-11-9-8-10-14(15)13-20-22(5,6)17(2,3)4/h7,10,15H,1,8-9,11-13H2,2-6H3
InChIKeyXOYJLAKEDBYMEK-UHFFFAOYSA-N
XLogP4.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.83
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] prop-2-enyl carbonate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate (CID 101261288) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate is C=CCOC(=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] prop-2-enyl carbonate?
The InChIKey is XOYJLAKEDBYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-12-19-16(18)21-15-11-9-8-10-14(15)13-20-22(5,6)17(2,3)4/h7,10,15H,1,8-9,11-13H2,2-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] prop-2-enyl carbonate has a molecular weight of 326.51 g/mol, XLogP of 4.83, 6 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] prop-2-enyl carbonate is sourced from PubChem (CID 101261288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).