(3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate

C21H30O3Si — CID 173267753

IUPAC(3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOC2CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C21H30O3Si/c1-7-25(6,8-2)19-11-9-17(10-12-19)20(22)24-23-18-13-16(3)14-21(4,5)15-18/h7-12,16,18H,1-2,13-15H2,3-6H3
InChIKeyUWCTUTIFTOLDLB-UHFFFAOYSA-N
MW358.55 g/mol
LogP4.73
Rot. Bonds6

About (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate

(3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (PubChem CID 173267753) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
PubChem CID173267753
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Name(3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOC2CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C21H30O3Si/c1-7-25(6,8-2)19-11-9-17(10-12-19)20(22)24-23-18-13-16(3)14-21(4,5)15-18/h7-12,16,18H,1-2,13-15H2,3-6H3
InChIKeyUWCTUTIFTOLDLB-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.73
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

(3,3,5-trimethylcyclohexyl) 4-ethylbenzenecarboperoxoate
CID 173265840
(3,3,5-trimethylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173265224
(2-ethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173267004
(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate
CID 173267680
(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173266229
(3,5-dimethylcyclohexyl) benzenecarboperoxoate
CID 173269779
(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
CID 173267973
[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate
CID 173266153
(3,3,5-trimethylcyclohexyl) 3-amino-4-hydroxybenzoate
CID 107265580
[(1R,5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate;hydrate
CID 67947071
(3,3,5-trimethylcyclohexyl) 4-amino-3-methoxybenzoate
CID 104783924
(4-methylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173266059

Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The IUPAC name of (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (CID 173267753) is (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.
What is the SMILES notation for (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The canonical SMILES for (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is C=C[Si](C)(C=C)c1ccc(C(=O)OOC2CC(C)CC(C)(C)C2)cc1.
What is the InChIKey of (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The InChIKey is UWCTUTIFTOLDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-7-25(6,8-2)19-11-9-17(10-12-19)20(22)24-23-18-13-16(3)14-21(4,5)15-18/h7-12,16,18H,1-2,13-15H2,3-6H3.
What are the key properties of (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
(3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate has a molecular weight of 358.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is sourced from PubChem (CID 173267753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).