1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol

C43H104O19Si8 — CID 176610404

IUPAC1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
SMILESCO[Si](CCC[Si](CCCC(O)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C43H104O19Si8/c1-45-65(46-2,47-3)37-21-31-63(32-22-38-66(48-4,49-5)50-6,33-23-39-67(51-7,52-8)53-9)29-19-27-43(44)28-20-30-64(34-24-40-68(54-10,55-11)56-12,35-25-41-69(57-13,58-14)59-15)36-26-42-70(60-16,61-17)62-18/h43-44H,19-42H2,1-18H3
InChIKeyDASWZWWWHVSALD-UHFFFAOYSA-N
MW1149.97 g/mol
LogP8.41
Rot. Bonds50

About 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol

1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol (PubChem CID 176610404) has the molecular formula C43H104O19Si8 and a molecular weight of 1149.97 g/mol. Its IUPAC name is 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol.

Molecular Properties

Compound Name1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
PubChem CID176610404
Molecular FormulaC43H104O19Si8
Molecular Weight1149.97 g/mol
Exact Mass1148.53
IUPAC Name1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
SMILESCO[Si](CCC[Si](CCCC(O)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C43H104O19Si8/c1-45-65(46-2,47-3)37-21-31-63(32-22-38-66(48-4,49-5)50-6,33-23-39-67(51-7,52-8)53-9)29-19-27-43(44)28-20-30-64(34-24-40-68(54-10,55-11)56-12,35-25-41-69(57-13,58-14)59-15)36-26-42-70(60-16,61-17)62-18/h43-44H,19-42H2,1-18H3
InChIKeyDASWZWWWHVSALD-UHFFFAOYSA-N
XLogP8.41
TPSA186.37 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds50
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.97
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(trimethoxysilyl)pentan-3-ol
CID 142667270
4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 158894670
1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
4-trimethoxysilylbutan-2-ol
CID 19880936
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
trimethoxy-[3-[methyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 87832175
hydroxy-dimethyl-(5-trimethoxysilylpentan-2-yl)azanium chloride
CID 87380739
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
trimethoxy(4-methylheptyl)silane
CID 23534240
1-sulfanyl-3-trimethoxysilylpropan-1-ol
CID 139948392
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
CID 160918976
3-sulfanyl-6-trimethoxysilylhexanoic acid
CID 142550334

Frequently Asked Questions

What is the IUPAC name of 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
The IUPAC name of 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol (CID 176610404) is 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol.
What is the SMILES notation for 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
The canonical SMILES for 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol is CO[Si](CCC[Si](CCCC(O)CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
The InChIKey is DASWZWWWHVSALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H104O19Si8/c1-45-65(46-2,47-3)37-21-31-63(32-22-38-66(48-4,49-5)50-6,33-23-39-67(51-7,52-8)53-9)29-19-27-43(44)28-20-30-64(34-24-40-68(54-10,55-11)56-12,35-25-41-69(57-13,58-14)59-15)36-26-42-70(60-16,61-17)62-18/h43-44H,19-42H2,1-18H3.
What are the key properties of 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol has a molecular weight of 1149.97 g/mol, XLogP of 8.41, 50 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol is sourced from PubChem (CID 176610404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).