[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate

C35H40O5Si — CID 162487614

IUPAC[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(C)(C)c2ccc(O[Si](C)(C)Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H40O5Si/c1-25-9-11-26(12-10-25)34(2,3)28-15-21-31(22-16-28)39-41(7,8)40-32-23-17-29(18-24-32)35(4,5)27-13-19-30(20-14-27)38-33(36)37-6/h9-24H,1-8H3
InChIKeySLAMYCVNSSPJEK-UHFFFAOYSA-N
MW568.79 g/mol
LogP8.95
Rot. Bonds9

About [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate

[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate (PubChem CID 162487614) has the molecular formula C35H40O5Si and a molecular weight of 568.79 g/mol. Its IUPAC name is [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate
PubChem CID162487614
Molecular FormulaC35H40O5Si
Molecular Weight568.79 g/mol
Exact Mass568.26
IUPAC Name[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(C)(C)c2ccc(O[Si](C)(C)Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H40O5Si/c1-25-9-11-26(12-10-25)34(2,3)28-15-21-31(22-16-28)39-41(7,8)40-32-23-17-29(18-24-32)35(4,5)27-13-19-30(20-14-27)38-33(36)37-6/h9-24H,1-8H3
InChIKeySLAMYCVNSSPJEK-UHFFFAOYSA-N
XLogP8.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.79
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate 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

tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670
[4-[2-[4-[1,1-bis(4-methoxycarbonyloxyphenyl)ethyl]phenyl]propan-2-yl]phenyl] tert-butyl carbonate
CID 21360353
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] [4-[2-(4-trimethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
CID 170514831
4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
CID 140743150
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate
CID 158116002
1-O-methyl 3-O-[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 22898067
methyl acetate;[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzoate
CID 144741916
[4-[2-[4-[1,1-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]propan-2-yl]phenyl] tert-butyl carbonate
CID 59938996
bis(4-methylphenyl) carbonate;ethane
CID 145416039
[4-[1-(3,4-dimethylphenyl)cyclohexyl]-2-methylphenyl] methyl carbonate;methyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 158694343
[4-[2-[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate
CID 59937331

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate?
The IUPAC name of [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate (CID 162487614) is [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate.
What is the SMILES notation for [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate?
The canonical SMILES for [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate is COC(=O)Oc1ccc(C(C)(C)c2ccc(O[Si](C)(C)Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate?
The InChIKey is SLAMYCVNSSPJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O5Si/c1-25-9-11-26(12-10-25)34(2,3)28-15-21-31(22-16-28)39-41(7,8)40-32-23-17-29(18-24-32)35(4,5)27-13-19-30(20-14-27)38-33(36)37-6/h9-24H,1-8H3.
What are the key properties of [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate?
[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate has a molecular weight of 568.79 g/mol, XLogP of 8.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate is sourced from PubChem (CID 162487614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).