dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)

C45H94O14Si3 — CID 139212067

IUPACdihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)
SMILESCC(C)(C)CC(C)(C)c1ccc(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC[Si](C)(O)O)cc1.C[Si](C)(C)O.C[Si](C)(C)O
InChIInChI=1S/C39H74O12Si.2C3H10OSi/c1-38(2,3)35-39(4,5)37-12-10-36(11-13-37)9-7-14-42-16-18-44-20-22-46-24-26-48-28-30-50-32-33-51-31-29-49-27-25-47-23-21-45-19-17-43-15-8-34-52(6,40)41;2*1-5(2,3)4/h10-13,40-41H,7-9,14-35H2,1-6H3;2*4H,1-3H3
InChIKeyPCWGKTSAOFJSRZ-UHFFFAOYSA-N
MW943.49 g/mol
LogP6.57
Rot. Bonds37

About dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)

dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane) (PubChem CID 139212067) has the molecular formula C45H94O14Si3 and a molecular weight of 943.49 g/mol. Its IUPAC name is dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane).

Molecular Properties

Compound Namedihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)
PubChem CID139212067
Molecular FormulaC45H94O14Si3
Molecular Weight943.49 g/mol
Exact Mass942.60
IUPAC Namedihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)
SMILESCC(C)(C)CC(C)(C)c1ccc(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC[Si](C)(O)O)cc1.C[Si](C)(C)O.C[Si](C)(C)O
InChIInChI=1S/C39H74O12Si.2C3H10OSi/c1-38(2,3)35-39(4,5)37-12-10-36(11-13-37)9-7-14-42-16-18-44-20-22-46-24-26-48-28-30-50-32-33-51-31-29-49-27-25-47-23-21-45-19-17-43-15-8-34-52(6,40)41;2*1-5(2,3)4/h10-13,40-41H,7-9,14-35H2,1-6H3;2*4H,1-3H3
InChIKeyPCWGKTSAOFJSRZ-UHFFFAOYSA-N
XLogP6.57
TPSA173.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds37
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.49
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane) with MolForge

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Related Compounds

cesium;boranuide;[dimethyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silyl]oxy-dimethyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane
CID 139243333
1-tert-butyl-4-[11-(2-ethoxyethoxy)undecyl]benzene
CID 162744789
1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243319
1-bromo-4-tert-butylbenzene;1-bromo-4-(3-ethoxypropyl)benzene
CID 67291909
cesium;boranuide;2,4,6,8-tetramethyl-2,4,6,8-tetrakis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139243337
N,N-dimethyl-2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propoxy]ethanamine
CID 177328633
sodium;boranuide;1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243325
1-[2-(2-iodoethoxy)ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 130452071
2-[3-[dihydroxy(methyl)silyl]propoxy]ethanol
CID 146831861
1-(7-bromoheptoxy)-4-[4-ethyl-3-methyl-6-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]hexyl]benzene
CID 177328471
2-[2-[2-[hydroxy-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phosphoryl]oxyethoxy]ethoxy]ethyl [4-(2,4,4-trimethylpentan-2-yl)phenyl] hydrogen phosphate
CID 101208825
2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 101340597

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)?
The IUPAC name of dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane) (CID 139212067) is dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane).
What is the SMILES notation for dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)?
The canonical SMILES for dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane) is CC(C)(C)CC(C)(C)c1ccc(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC[Si](C)(O)O)cc1.C[Si](C)(C)O.C[Si](C)(C)O.
What is the InChIKey of dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)?
The InChIKey is PCWGKTSAOFJSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74O12Si.2C3H10OSi/c1-38(2,3)35-39(4,5)37-12-10-36(11-13-37)9-7-14-42-16-18-44-20-22-46-24-26-48-28-30-50-32-33-51-31-29-49-27-25-47-23-21-45-19-17-43-15-8-34-52(6,40)41;2*1-5(2,3)4/h10-13,40-41H,7-9,14-35H2,1-6H3;2*4H,1-3H3.
What are the key properties of dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane)?
dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane) has a molecular weight of 943.49 g/mol, XLogP of 6.57, 37 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane;bis(hydroxy(trimethyl)silane) is sourced from PubChem (CID 139212067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).