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

C44H106O19Si8 — CID 158894670

IUPAC4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
SMILESCO[Si](CCC[Si](CCCC(C)(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/C44H106O19Si8/c1-44(45,28-20-30-64(32-22-38-66(46-2,47-3)48-4,33-23-39-67(49-5,50-6)51-7)34-24-40-68(52-8,53-9)54-10)29-21-31-65(35-25-41-69(55-11,56-12)57-13,36-26-42-70(58-14,59-15)60-16)37-27-43-71(61-17,62-18)63-19/h45H,20-43H2,1-19H3
InChIKeyQJFUECCSECWVJN-UHFFFAOYSA-N
MW1164.00 g/mol
LogP8.80
Rot. Bonds50

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

4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol (PubChem CID 158894670) has the molecular formula C44H106O19Si8 and a molecular weight of 1164.00 g/mol. Its IUPAC name is 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol.

Molecular Properties

Compound Name4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
PubChem CID158894670
Molecular FormulaC44H106O19Si8
Molecular Weight1164.00 g/mol
Exact Mass1162.55
IUPAC Name4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
SMILESCO[Si](CCC[Si](CCCC(C)(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/C44H106O19Si8/c1-44(45,28-20-30-64(32-22-38-66(46-2,47-3)48-4,33-23-39-67(49-5,50-6)51-7)34-24-40-68(52-8,53-9)54-10)29-21-31-65(35-25-41-69(55-11,56-12)57-13,36-26-42-70(58-14,59-15)60-16)37-27-43-71(61-17,62-18)63-19/h45H,20-43H2,1-19H3
InChIKeyQJFUECCSECWVJN-UHFFFAOYSA-N
XLogP8.80
TPSA186.37 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds50
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.00
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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

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Related Compounds

trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 160847650
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
CID 160918976
1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 176610404
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 157122968
2,2-dimethyl-5-trimethoxysilylpentanal
CID 86093954
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol
CID 160659448
trimethoxy-[3-[methyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 87832175
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047
16-trimethoxysilylhexadecan-1-ol
CID 87683754

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
The IUPAC name of 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol (CID 158894670) is 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol.
What is the SMILES notation for 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
The canonical SMILES for 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol is CO[Si](CCC[Si](CCCC(C)(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 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
The InChIKey is QJFUECCSECWVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H106O19Si8/c1-44(45,28-20-30-64(32-22-38-66(46-2,47-3)48-4,33-23-39-67(49-5,50-6)51-7)34-24-40-68(52-8,53-9)54-10)29-21-31-65(35-25-41-69(55-11,56-12)57-13,36-26-42-70(58-14,59-15)60-16)37-27-43-71(61-17,62-18)63-19/h45H,20-43H2,1-19H3.
What are the key properties of 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol?
4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol has a molecular weight of 1164.00 g/mol, XLogP of 8.80, 50 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol is sourced from PubChem (CID 158894670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).