bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane

C120H214OSi2 — CID 123703052

IUPACbis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane
SMILESCCCCCC(C)(C)c1cc(C(C)(C)CCCCC)c([SiH](O[SiH](c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c(C(C)(C)CCCCC)c1
InChIInChI=1S/C120H214OSi2/c1-37-49-61-73-109(13,14)93-85-97(113(21,22)77-65-53-41-5)105(98(86-93)114(23,24)78-66-54-42-6)122(106-99(115(25,26)79-67-55-43-7)87-94(110(15,16)74-62-50-38-2)88-100(106)116(27,28)80-68-56-44-8)121-123(107-101(117(29,30)81-69-57-45-9)89-95(111(17,18)75-63-51-39-3)90-102(107)118(31,32)82-70-58-46-10)108-103(119(33,34)83-71-59-47-11)91-96(112(19,20)76-64-52-40-4)92-104(108)120(35,36)84-72-60-48-12/h85-92,122-123H,37-84H2,1-36H3
InChIKeyKLFCVTKZCGXGPC-UHFFFAOYSA-N
MW1729.20 g/mol
LogP36.37
Rot. Bonds66

About bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane

bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane (PubChem CID 123703052) has the molecular formula C120H214OSi2 and a molecular weight of 1729.20 g/mol. Its IUPAC name is bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane.

Molecular Properties

Compound Namebis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane
PubChem CID123703052
Molecular FormulaC120H214OSi2
Molecular Weight1729.20 g/mol
Exact Mass1727.62
IUPAC Namebis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane
SMILESCCCCCC(C)(C)c1cc(C(C)(C)CCCCC)c([SiH](O[SiH](c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c(C(C)(C)CCCCC)c1
InChIInChI=1S/C120H214OSi2/c1-37-49-61-73-109(13,14)93-85-97(113(21,22)77-65-53-41-5)105(98(86-93)114(23,24)78-66-54-42-6)122(106-99(115(25,26)79-67-55-43-7)87-94(110(15,16)74-62-50-38-2)88-100(106)116(27,28)80-68-56-44-8)121-123(107-101(117(29,30)81-69-57-45-9)89-95(111(17,18)75-63-51-39-3)90-102(107)118(31,32)82-70-58-46-10)108-103(119(33,34)83-71-59-47-11)91-96(112(19,20)76-64-52-40-4)92-104(108)120(35,36)84-72-60-48-12/h85-92,122-123H,37-84H2,1-36H3
InChIKeyKLFCVTKZCGXGPC-UHFFFAOYSA-N
XLogP36.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds66
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001729.20
LogP ≤ 536.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
2-hydroxy-3,5-bis(2-methyloctan-2-yl)benzoic acid
CID 22345991
bis[2,4-bis(2-methylheptan-2-yl)phenyl] carbonate
CID 141011315
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
2,6-diethyl-4-(2-methylheptan-2-yl)phenol
CID 91497422
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
5,11,17,23,29,35,41,47-octakis(2-methyltridecan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CID 100978630
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
3-(2-methyloctan-2-yl)pyridine
CID 126558457

Frequently Asked Questions

What is the IUPAC name of bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane?
The IUPAC name of bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane (CID 123703052) is bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane.
What is the SMILES notation for bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane?
The canonical SMILES for bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane is CCCCCC(C)(C)c1cc(C(C)(C)CCCCC)c([SiH](O[SiH](c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c2c(C(C)(C)CCCCC)cc(C(C)(C)CCCCC)cc2C(C)(C)CCCCC)c(C(C)(C)CCCCC)c1.
What is the InChIKey of bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane?
The InChIKey is KLFCVTKZCGXGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H214OSi2/c1-37-49-61-73-109(13,14)93-85-97(113(21,22)77-65-53-41-5)105(98(86-93)114(23,24)78-66-54-42-6)122(106-99(115(25,26)79-67-55-43-7)87-94(110(15,16)74-62-50-38-2)88-100(106)116(27,28)80-68-56-44-8)121-123(107-101(117(29,30)81-69-57-45-9)89-95(111(17,18)75-63-51-39-3)90-102(107)118(31,32)82-70-58-46-10)108-103(119(33,34)83-71-59-47-11)91-96(112(19,20)76-64-52-40-4)92-104(108)120(35,36)84-72-60-48-12/h85-92,122-123H,37-84H2,1-36H3.
What are the key properties of bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane?
bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane has a molecular weight of 1729.20 g/mol, XLogP of 36.37, 66 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silyloxy-bis[2,4,6-tris(2-methylheptan-2-yl)phenyl]silane is sourced from PubChem (CID 123703052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).