11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane

C100H186O8Si4 — CID 161197290

IUPAC11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane
SMILESCc1ccccc1C(c1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)c1)c1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C100H186O8Si4/c1-80(2)109(81(3)4,82(5)6)105-70-60-50-42-34-26-30-38-46-56-66-101-95-74-93(75-96(78-95)102-67-57-47-39-31-27-35-43-51-61-71-106-110(83(7)8,84(9)10)85(11)12)100(99-65-55-54-64-92(99)25)94-76-97(103-68-58-48-40-32-28-36-44-52-62-72-107-111(86(13)14,87(15)16)88(17)18)79-98(77-94)104-69-59-49-41-33-29-37-45-53-63-73-108-112(89(19)20,90(21)22)91(23)24/h54-55,64-65,74-91,100H,26-53,56-63,66-73H2,1-25H3
InChIKeyPWKDZHRRFBFGGU-UHFFFAOYSA-N
MW1628.92 g/mol
LogP33.50
Rot. Bonds71

About 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane

11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane (PubChem CID 161197290) has the molecular formula C100H186O8Si4 and a molecular weight of 1628.92 g/mol. Its IUPAC name is 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane
PubChem CID161197290
Molecular FormulaC100H186O8Si4
Molecular Weight1628.92 g/mol
Exact Mass1627.32
IUPAC Name11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane
SMILESCc1ccccc1C(c1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)c1)c1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C100H186O8Si4/c1-80(2)109(81(3)4,82(5)6)105-70-60-50-42-34-26-30-38-46-56-66-101-95-74-93(75-96(78-95)102-67-57-47-39-31-27-35-43-51-61-71-106-110(83(7)8,84(9)10)85(11)12)100(99-65-55-54-64-92(99)25)94-76-97(103-68-58-48-40-32-28-36-44-52-62-72-107-111(86(13)14,87(15)16)88(17)18)79-98(77-94)104-69-59-49-41-33-29-37-45-53-63-73-108-112(89(19)20,90(21)22)91(23)24/h54-55,64-65,74-91,100H,26-53,56-63,66-73H2,1-25H3
InChIKeyPWKDZHRRFBFGGU-UHFFFAOYSA-N
XLogP33.50
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds71
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001628.92
LogP ≤ 533.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium
CID 158803684
2-(2-phenoxyethoxy)ethoxy-tri(propan-2-yl)silane
CID 142630702
[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
CID 159571460
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane
CID 154633145
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
[(2-methylphenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105286114
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336
7-[3,5-dimethyl-4-(2-methylphenyl)phenoxy]heptan-1-amine
CID 21281226
6-(3-methylphenoxy)-2-(2-methylphenyl)hexanenitrile
CID 82137305
5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
CID 82137321

Frequently Asked Questions

What is the IUPAC name of 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane?
The IUPAC name of 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane (CID 161197290) is 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane?
The canonical SMILES for 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane is Cc1ccccc1C(c1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)c1)c1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane?
The InChIKey is PWKDZHRRFBFGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H186O8Si4/c1-80(2)109(81(3)4,82(5)6)105-70-60-50-42-34-26-30-38-46-56-66-101-95-74-93(75-96(78-95)102-67-57-47-39-31-27-35-43-51-61-71-106-110(83(7)8,84(9)10)85(11)12)100(99-65-55-54-64-92(99)25)94-76-97(103-68-58-48-40-32-28-36-44-52-62-72-107-111(86(13)14,87(15)16)88(17)18)79-98(77-94)104-69-59-49-41-33-29-37-45-53-63-73-108-112(89(19)20,90(21)22)91(23)24/h54-55,64-65,74-91,100H,26-53,56-63,66-73H2,1-25H3.
What are the key properties of 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane?
11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane has a molecular weight of 1628.92 g/mol, XLogP of 33.50, 71 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 161197290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).