2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one

C34H41BrO3Si2 — CID 25260245

IUPAC2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one
SMILESCOc1ccc(C2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C(Br)C(=O)C([Si](C)(C)C)=C2)cc1
InChIInChI=1S/C34H41BrO3Si2/c1-33(2,3)40(28-14-10-8-11-15-28,29-16-12-9-13-17-29)38-23-22-34(26-18-20-27(37-4)21-19-26)24-30(35)32(36)31(25-34)39(5,6)7/h8-21,24-25H,22-23H2,1-7H3
InChIKeyWUAMTXRHEXRVJG-UHFFFAOYSA-N
MW633.78 g/mol
LogP7.57
Rot. Bonds9

About 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one

2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one (PubChem CID 25260245) has the molecular formula C34H41BrO3Si2 and a molecular weight of 633.78 g/mol. Its IUPAC name is 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one
PubChem CID25260245
Molecular FormulaC34H41BrO3Si2
Molecular Weight633.78 g/mol
Exact Mass632.18
IUPAC Name2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one
SMILESCOc1ccc(C2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C(Br)C(=O)C([Si](C)(C)C)=C2)cc1
InChIInChI=1S/C34H41BrO3Si2/c1-33(2,3)40(28-14-10-8-11-15-28,29-16-12-9-13-17-29)38-23-22-34(26-18-20-27(37-4)21-19-26)24-30(35)32(36)31(25-34)39(5,6)7/h8-21,24-25H,22-23H2,1-7H3
InChIKeyWUAMTXRHEXRVJG-UHFFFAOYSA-N
XLogP7.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.78
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one 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-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
CID 11179358
(3S,8aS)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8a-methoxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
CID 23630731
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 142794272
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 15262819
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
2-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxetan-3-yl]ethanol
CID 177119133
1,3-dibromo-5-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]thieno[3,4-c]pyrrole-4,6-dione
CID 140789723
(2R,4aR,6S,9Z,10aS)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(4-methoxyphenyl)-4,4a,8,10a-tetrahydro-[1,3]dioxino[5,4-b]oxocin-7-one
CID 52937203
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one (CID 25260245) is 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one is COc1ccc(C2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C(Br)C(=O)C([Si](C)(C)C)=C2)cc1.
What is the InChIKey of 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one?
The InChIKey is WUAMTXRHEXRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41BrO3Si2/c1-33(2,3)40(28-14-10-8-11-15-28,29-16-12-9-13-17-29)38-23-22-34(26-18-20-27(37-4)21-19-26)24-30(35)32(36)31(25-34)39(5,6)7/h8-21,24-25H,22-23H2,1-7H3.
What are the key properties of 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one?
2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one has a molecular weight of 633.78 g/mol, XLogP of 7.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(4-methoxyphenyl)-6-trimethylsilylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 25260245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).