(2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane

C72H110O12Si6 — CID 161105329

About (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane

(2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane (PubChem CID 161105329) has the molecular formula C72H110O12Si6 and a molecular weight of 1336.18 g/mol. Its IUPAC name is (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane.

Molecular Properties

• Compound Name: (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane
• PubChem CID: 161105329
• Molecular Formula: C72H110O12Si6
• Molecular Weight: 1336.18 g/mol
• Exact Mass: 1334.66
• IUPAC Name: (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane
• SMILES: C.C.CC(C)(c1ccc(OC(=O)Oc2ccccc2CCC[Si](C)(C)O[Si](C)(C)C)cc1)c1ccc(OC(=O)Oc2ccccc2CCC[Si](C)(C)O[Si](C)(C)C)cc1.CCCCc1ccccc1OC(=O)Oc1ccccc1CCC[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C45H64O8Si4.C25H38O4Si2.2CH4/c1-45(2,37-25-29-39(30-26-37)48-43(46)50-41-23-15-13-19-35(41)21-17-33-56(9,10)52-54(3,4)5)38-27-31-40(32-28-38)49-44(47)51-42-24-16-14-20-36(42)22-18-34-57(11,12)53-55(6,7)8;1-7-8-14-21-15-9-11-18-23(21)27-25(26)28-24-19-12-10-16-22(24)17-13-20-31(5,6)29-30(2,3)4;;/h13-16,19-20,23-32H,17-18,21-22,33-34H2,1-12H3;9-12,15-16,18-19H,7-8,13-14,17,20H2,1-6H3;2*1H4
• InChIKey: UIZAUBWXJHFHPT-UHFFFAOYSA-N
• XLogP: 22.01
• TPSA: 134.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1336.18
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane?

The IUPAC name of (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane (CID 161105329) is (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane.

What is the SMILES notation for (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane?

The canonical SMILES for (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane is C.C.CC(C)(c1ccc(OC(=O)Oc2ccccc2CCC[Si](C)(C)O[Si](C)(C)C)cc1)c1ccc(OC(=O)Oc2ccccc2CCC[Si](C)(C)O[Si](C)(C)C)cc1.CCCCc1ccccc1OC(=O)Oc1ccccc1CCC[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane?

The InChIKey is UIZAUBWXJHFHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H64O8Si4.C25H38O4Si2.2CH4/c1-45(2,37-25-29-39(30-26-37)48-43(46)50-41-23-15-13-19-35(41)21-17-33-56(9,10)52-54(3,4)5)38-27-31-40(32-28-38)49-44(47)51-42-24-16-14-20-36(42)22-18-34-57(11,12)53-55(6,7)8;1-7-8-14-21-15-9-11-18-23(21)27-25(26)28-24-19-12-10-16-22(24)17-13-20-31(5,6)29-30(2,3)4;;/h13-16,19-20,23-32H,17-18,21-22,33-34H2,1-12H3;9-12,15-16,18-19H,7-8,13-14,17,20H2,1-6H3;2*1H4.

What are the key properties of (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane?

(2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane has a molecular weight of 1336.18 g/mol, XLogP of 22.01, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane is sourced from PubChem (CID 161105329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).