(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate

C18H28O3Si — CID 173267680

IUPAC(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate
SMILESCC1CCC(OOC(=O)c2ccc([Si](C)(C)C)cc2)CC1C
InChIInChI=1S/C18H28O3Si/c1-13-6-9-16(12-14(13)2)20-21-18(19)15-7-10-17(11-8-15)22(3,4)5/h7-8,10-11,13-14,16H,6,9,12H2,1-5H3
InChIKeyADSLZLBAXQEPAG-UHFFFAOYSA-N
MW320.50 g/mol
LogP4.14
Rot. Bonds4

About (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate

(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate (PubChem CID 173267680) has the molecular formula C18H28O3Si and a molecular weight of 320.50 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate
PubChem CID173267680
Molecular FormulaC18H28O3Si
Molecular Weight320.50 g/mol
Exact Mass320.18
IUPAC Name(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate
SMILESCC1CCC(OOC(=O)c2ccc([Si](C)(C)C)cc2)CC1C
InChIInChI=1S/C18H28O3Si/c1-13-6-9-16(12-14(13)2)20-21-18(19)15-7-10-17(11-8-15)22(3,4)5/h7-8,10-11,13-14,16H,6,9,12H2,1-5H3
InChIKeyADSLZLBAXQEPAG-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 54.14
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

[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate
CID 173266153
(3,4-dimethylcyclohexyl) 4-aminobenzoate
CID 64746890
(4-methylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173266059
(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265914
4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64746307
(3,5-dimethylcyclohexyl) benzenecarboperoxoate
CID 173269779
(2,5-dimethylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173265879
(3,4-dimethylcyclohexyl) 4-(2-aminoethyl)benzoate
CID 64747289
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
(2,5-dimethylcyclohexyl) benzenecarboperoxoate
CID 173267202
cyclopentyl 4-ethylbenzenecarboperoxoate
CID 173266151
(4-tert-butylcyclohexyl) 4-methoxybenzenecarboperoxoate
CID 173265506

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate?
The IUPAC name of (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate (CID 173267680) is (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate is CC1CCC(OOC(=O)c2ccc([Si](C)(C)C)cc2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate?
The InChIKey is ADSLZLBAXQEPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3Si/c1-13-6-9-16(12-14(13)2)20-21-18(19)15-7-10-17(11-8-15)22(3,4)5/h7-8,10-11,13-14,16H,6,9,12H2,1-5H3.
What are the key properties of (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate?
(3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate has a molecular weight of 320.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 4-trimethylsilylbenzenecarboperoxoate is sourced from PubChem (CID 173267680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).