(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate

C20H30O3Si — CID 173266229

IUPAC(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](CC)(CC)c1ccc(C(=O)OOC2CCCCC2C)cc1
InChIInChI=1S/C20H30O3Si/c1-5-24(6-2,7-3)18-14-12-17(13-15-18)20(21)23-22-19-11-9-8-10-16(19)4/h5,12-16,19H,1,6-11H2,2-4H3
InChIKeyNSMXHBHMXBAFLN-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.77
Rot. Bonds7

About (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate

(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate (PubChem CID 173266229) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
PubChem CID173266229
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Name(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](CC)(CC)c1ccc(C(=O)OOC2CCCCC2C)cc1
InChIInChI=1S/C20H30O3Si/c1-5-24(6-2,7-3)18-14-12-17(13-15-18)20(21)23-22-19-11-9-8-10-16(19)4/h5,12-16,19H,1,6-11H2,2-4H3
InChIKeyNSMXHBHMXBAFLN-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.77
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-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The IUPAC name of (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate (CID 173266229) is (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate.
What is the SMILES notation for (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The canonical SMILES for (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate is C=C[Si](CC)(CC)c1ccc(C(=O)OOC2CCCCC2C)cc1.
What is the InChIKey of (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The InChIKey is NSMXHBHMXBAFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-5-24(6-2,7-3)18-14-12-17(13-15-18)20(21)23-22-19-11-9-8-10-16(19)4/h5,12-16,19H,1,6-11H2,2-4H3.
What are the key properties of (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate has a molecular weight of 346.54 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate is sourced from PubChem (CID 173266229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).