(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate

C21H32O3Si — CID 173267973

IUPAC(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C)c1ccc(C(=O)OOC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C21H32O3Si/c1-7-25(5,6)17-14-12-16(13-15-17)20(22)24-23-19-11-9-8-10-18(19)21(2,3)4/h7,12-15,18-19H,1,8-11H2,2-6H3
InChIKeyVWRFVSYKCKTDLM-UHFFFAOYSA-N
MW360.57 g/mol
LogP5.02
Rot. Bonds5

About (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate

(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate (PubChem CID 173267973) has the molecular formula C21H32O3Si and a molecular weight of 360.57 g/mol. Its IUPAC name is (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate.

Molecular Properties

Compound Name(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
PubChem CID173267973
Molecular FormulaC21H32O3Si
Molecular Weight360.57 g/mol
Exact Mass360.21
IUPAC Name(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C)c1ccc(C(=O)OOC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C21H32O3Si/c1-7-25(5,6)17-14-12-16(13-15-17)20(22)24-23-19-11-9-8-10-18(19)21(2,3)4/h7,12-15,18-19H,1,8-11H2,2-6H3
InChIKeyVWRFVSYKCKTDLM-UHFFFAOYSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.57
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The IUPAC name of (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate (CID 173267973) is (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate.
What is the SMILES notation for (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The canonical SMILES for (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate is C=C[Si](C)(C)c1ccc(C(=O)OOC2CCCCC2C(C)(C)C)cc1.
What is the InChIKey of (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The InChIKey is VWRFVSYKCKTDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3Si/c1-7-25(5,6)17-14-12-16(13-15-17)20(22)24-23-19-11-9-8-10-18(19)21(2,3)4/h7,12-15,18-19H,1,8-11H2,2-6H3.
What are the key properties of (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate has a molecular weight of 360.57 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate is sourced from PubChem (CID 173267973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).