tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate

C46H58O7Si2 — CID 68898414

IUPACtert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(C(OC(c2ccc(C=C[Si](C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(C=C[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C46H58O7Si2/c1-45(2,3)52-43(47)49-39-25-21-37(22-26-39)41(35-17-13-33(14-18-35)29-31-54(7,8)9)51-42(36-19-15-34(16-20-36)30-32-55(10,11)12)38-23-27-40(28-24-38)50-44(48)53-46(4,5)6/h13-32,41-42H,1-12H3
InChIKeyNBQVMNQGTGHUKZ-UHFFFAOYSA-N
MW779.13 g/mol
LogP12.99
Rot. Bonds12

About tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate

tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate (PubChem CID 68898414) has the molecular formula C46H58O7Si2 and a molecular weight of 779.13 g/mol. Its IUPAC name is tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate.

Molecular Properties

Compound Nametert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate
PubChem CID68898414
Molecular FormulaC46H58O7Si2
Molecular Weight779.13 g/mol
Exact Mass778.37
IUPAC Nametert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(C(OC(c2ccc(C=C[Si](C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(C=C[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C46H58O7Si2/c1-45(2,3)52-43(47)49-39-25-21-37(22-26-39)41(35-17-13-33(14-18-35)29-31-54(7,8)9)51-42(36-19-15-34(16-20-36)30-32-55(10,11)12)38-23-27-40(28-24-38)50-44(48)53-46(4,5)6/h13-32,41-42H,1-12H3
InChIKeyNBQVMNQGTGHUKZ-UHFFFAOYSA-N
XLogP12.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.13
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] 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

2,3-Dihydro-2-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-1,4-dioxin
CID 622983
[(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane
CID 15940738
[(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-yl] acetate
CID 139249880
tert-butyl-[(2E)-2-[(2R,6S)-2-[(4-methoxyphenyl)methoxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
CID 139249881
tert-butyl-[2-[(2S,6R)-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]-4-methylideneoxan-2-yl]ethoxy]-diphenylsilane
CID 11251484
Bis[4-(4-methoxyphenyl)phenyl] carbonate
CID 57120519
[(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-lambda5-phosphane
CID 59678386
Poly[oxycarbonyloxy-1,4-phenylene(1-methylethylidene)-1,4-phenylene], I+/--[4-(1,1-dimethylethyl)phenyl]-I-[[[4-(1,1-dimethylethyl)phenoxy]carbonyl]oxy]-
CID 66697978
[4-[4-(4-Butylcyclohexyl)-2-fluorophenyl]phenyl] (4-propylcyclohexyl) carbonate
CID 70520736
[4-[2-Fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl] (4-pentylcyclohexyl) carbonate
CID 70520741
[4-[2-Fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] (4-pentylcyclohexyl) carbonate
CID 70521873
[4-[2-Fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl] (4-propylcyclohexyl) carbonate
CID 70521886

Frequently Asked Questions

What is the IUPAC name of tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate?
The IUPAC name of tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate (CID 68898414) is tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate.
What is the SMILES notation for tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate?
The canonical SMILES for tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate is CC(C)(C)OC(=O)Oc1ccc(C(OC(c2ccc(C=C[Si](C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(C=C[Si](C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate?
The InChIKey is NBQVMNQGTGHUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H58O7Si2/c1-45(2,3)52-43(47)49-39-25-21-37(22-26-39)41(35-17-13-33(14-18-35)29-31-54(7,8)9)51-42(36-19-15-34(16-20-36)30-32-55(10,11)12)38-23-27-40(28-24-38)50-44(48)53-46(4,5)6/h13-32,41-42H,1-12H3.
What are the key properties of tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate?
tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate has a molecular weight of 779.13 g/mol, XLogP of 12.99, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [4-[[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(2-trimethylsilylethenyl)phenyl]methoxy]-[4-(2-trimethylsilylethenyl)phenyl]methyl]phenyl] carbonate is sourced from PubChem (CID 68898414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).