3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane

C102H228Cl12O3Si21 — CID 102259085

IUPAC3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane
SMILESC[Si](C)(Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(CCCOc1cc(OCCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)cc(OCCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)c1)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl
InChIInChI=1S/C102H228Cl12O3Si21/c1-118(2,103)58-37-73-133(28,74-38-59-119(3,4)104)91-49-85-130(25,86-50-92-134(29,75-39-60-120(5,6)105)76-40-61-121(7,8)106)70-34-55-115-100-97-101(116-56-35-71-131(26,87-51-93-135(30,77-41-62-122(9,10)107)78-42-63-123(11,12)108)88-52-94-136(31,79-43-64-124(13,14)109)80-44-65-125(15,16)110)99-102(98-100)117-57-36-72-132(27,89-53-95-137(32,81-45-66-126(17,18)111)82-46-67-127(19,20)112)90-54-96-138(33,83-47-68-128(21,22)113)84-48-69-129(23,24)114/h97-99H,34-96H2,1-33H3
InChIKeyHWCPPBYIZUEYBK-UHFFFAOYSA-N
MW2518.18 g/mol
LogP47.05
Rot. Bonds87

About 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane

3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane (PubChem CID 102259085) has the molecular formula C102H228Cl12O3Si21 and a molecular weight of 2518.18 g/mol. Its IUPAC name is 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane.

Molecular Properties

Compound Name3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane
PubChem CID102259085
Molecular FormulaC102H228Cl12O3Si21
Molecular Weight2518.18 g/mol
Exact Mass2508.91
IUPAC Name3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane
SMILESC[Si](C)(Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(CCCOc1cc(OCCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)cc(OCCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)c1)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl
InChIInChI=1S/C102H228Cl12O3Si21/c1-118(2,103)58-37-73-133(28,74-38-59-119(3,4)104)91-49-85-130(25,86-50-92-134(29,75-39-60-120(5,6)105)76-40-61-121(7,8)106)70-34-55-115-100-97-101(116-56-35-71-131(26,87-51-93-135(30,77-41-62-122(9,10)107)78-42-63-123(11,12)108)88-52-94-136(31,79-43-64-124(13,14)109)80-44-65-125(15,16)110)99-102(98-100)117-57-36-72-132(27,89-53-95-137(32,81-45-66-126(17,18)111)82-46-67-127(19,20)112)90-54-96-138(33,83-47-68-128(21,22)113)84-48-69-129(23,24)114/h97-99H,34-96H2,1-33H3
InChIKeyHWCPPBYIZUEYBK-UHFFFAOYSA-N
XLogP47.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds87
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002518.18
LogP ≤ 547.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane with MolForge

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Related Compounds

chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
CID 123328360
tetrakis[3-[chloro(dimethyl)silyl]propyl] silicate
CID 15448106
2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium
CID 132545150
chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane
CID 90027286
1,3,5-tributoxybenzene
CID 15933337
(3,5-dipropoxyphenoxy)-trimethylsilane
CID 91732551
tetrakis[3-[tris[3-[chloro(dimethyl)silyl]propyl]silyl]propyl]silane
CID 15536953
hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
CID 123925511
chloro-(24-chlorotetracosyl)-dimethylsilane
CID 87683150
3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane
CID 164578565
1,3-bis(2-chloroethoxy)-5-methylbenzene
CID 86221036
trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane
CID 139776557

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane?
The IUPAC name of 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane (CID 102259085) is 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane.
What is the SMILES notation for 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane?
The canonical SMILES for 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane is C[Si](C)(Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(CCCOc1cc(OCCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)cc(OCCC[Si](C)(CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl)c1)CCC[Si](C)(CCC[Si](C)(C)Cl)CCC[Si](C)(C)Cl.
What is the InChIKey of 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane?
The InChIKey is HWCPPBYIZUEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H228Cl12O3Si21/c1-118(2,103)58-37-73-133(28,74-38-59-119(3,4)104)91-49-85-130(25,86-50-92-134(29,75-39-60-120(5,6)105)76-40-61-121(7,8)106)70-34-55-115-100-97-101(116-56-35-71-131(26,87-51-93-135(30,77-41-62-122(9,10)107)78-42-63-123(11,12)108)88-52-94-136(31,79-43-64-124(13,14)109)80-44-65-125(15,16)110)99-102(98-100)117-57-36-72-132(27,89-53-95-137(32,81-45-66-126(17,18)111)82-46-67-127(19,20)112)90-54-96-138(33,83-47-68-128(21,22)113)84-48-69-129(23,24)114/h97-99H,34-96H2,1-33H3.
What are the key properties of 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane?
3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane has a molecular weight of 2518.18 g/mol, XLogP of 47.05, 87 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane is sourced from PubChem (CID 102259085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).