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

C20H28O3Si — CID 173267004

IUPAC(2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOC2CCCCC2CC)cc1
InChIInChI=1S/C20H28O3Si/c1-5-16-10-8-9-11-19(16)22-23-20(21)17-12-14-18(15-13-17)24(4,6-2)7-3/h6-7,12-16,19H,2-3,5,8-11H2,1,4H3
InChIKeyZRWZIGYMTPCSFH-UHFFFAOYSA-N
MW344.53 g/mol
LogP4.48
Rot. Bonds7

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

(2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (PubChem CID 173267004) has the molecular formula C20H28O3Si and a molecular weight of 344.53 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
PubChem CID173267004
Molecular FormulaC20H28O3Si
Molecular Weight344.53 g/mol
Exact Mass344.18
IUPAC Name(2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOC2CCCCC2CC)cc1
InChIInChI=1S/C20H28O3Si/c1-5-16-10-8-9-11-19(16)22-23-20(21)17-12-14-18(15-13-17)24(4,6-2)7-3/h6-7,12-16,19H,2-3,5,8-11H2,1,4H3
InChIKeyZRWZIGYMTPCSFH-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.48
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'}

Analyze (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265914
(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173266229
(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
CID 173267973
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate
CID 173266514
cyclopentyl 4-ethylbenzenecarboperoxoate
CID 173266151
(2-ethylcyclohexyl) 4-(methylsulfonylmethyl)benzoate
CID 86975743
4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 43188248
ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267153
(2-ethylcyclohexyl) 6-bromopyridine-2-carboxylate
CID 103889501
(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate
CID 78831748
(2-ethylcyclohexyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 78818907

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The IUPAC name of (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (CID 173267004) is (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.
What is the SMILES notation for (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The canonical SMILES for (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is C=C[Si](C)(C=C)c1ccc(C(=O)OOC2CCCCC2CC)cc1.
What is the InChIKey of (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The InChIKey is ZRWZIGYMTPCSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3Si/c1-5-16-10-8-9-11-19(16)22-23-20(21)17-12-14-18(15-13-17)24(4,6-2)7-3/h6-7,12-16,19H,2-3,5,8-11H2,1,4H3.
What are the key properties of (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
(2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate has a molecular weight of 344.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is sourced from PubChem (CID 173267004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).