(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate

C19H26O3Si — CID 173265914

IUPAC(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOC2CCCCC2C)cc1
InChIInChI=1S/C19H26O3Si/c1-5-23(4,6-2)17-13-11-16(12-14-17)19(20)22-21-18-10-8-7-9-15(18)3/h5-6,11-15,18H,1-2,7-10H2,3-4H3
InChIKeyHTUGTKSGWGVFCA-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.09
Rot. Bonds6

About (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate

(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (PubChem CID 173265914) has the molecular formula C19H26O3Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
PubChem CID173265914
Molecular FormulaC19H26O3Si
Molecular Weight330.50 g/mol
Exact Mass330.17
IUPAC Name(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOC2CCCCC2C)cc1
InChIInChI=1S/C19H26O3Si/c1-5-23(4,6-2)17-13-11-16(12-14-17)19(20)22-21-18-10-8-7-9-15(18)3/h5-6,11-15,18H,1-2,7-10H2,3-4H3
InChIKeyHTUGTKSGWGVFCA-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.09
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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Related Compounds

(2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173267004
(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173266229
(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
CID 173267973
[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate
CID 173266514
(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate
CID 173267680
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate
CID 173266386
(2,5-dimethylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173265879
(2,5-dimethylcyclohexyl) benzenecarboperoxoate
CID 173267202
(2-methylcyclohexyl) 6-chloropyridine-3-carboxylate
CID 60715692
cyclopentyl 4-ethylbenzenecarboperoxoate
CID 173266151
cyclohexyl 4-tert-butylbenzenecarboperoxoate
CID 173267759

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The IUPAC name of (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (CID 173265914) is (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.
What is the SMILES notation for (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The canonical SMILES for (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is C=C[Si](C)(C=C)c1ccc(C(=O)OOC2CCCCC2C)cc1.
What is the InChIKey of (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The InChIKey is HTUGTKSGWGVFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3Si/c1-5-23(4,6-2)17-13-11-16(12-14-17)19(20)22-21-18-10-8-7-9-15(18)3/h5-6,11-15,18H,1-2,7-10H2,3-4H3.
What are the key properties of (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate has a molecular weight of 330.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is sourced from PubChem (CID 173265914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).