4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol

C24H56O11Si3 — CID 157238818

IUPAC4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol
SMILESCO[Si](CCCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)COCCC(C)O)(OC)OC
InChIInChI=1S/C24H56O11Si3/c1-23(25)14-18-35-22-24(15-11-19-36(26-2,27-3)28-4,16-12-20-37(29-5,30-6)31-7)17-13-21-38(32-8,33-9)34-10/h23,25H,11-22H2,1-10H3
InChIKeyOFWYFGHDXCLGTK-UHFFFAOYSA-N
MW604.96 g/mol
LogP3.74
Rot. Bonds26

About 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol

4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol (PubChem CID 157238818) has the molecular formula C24H56O11Si3 and a molecular weight of 604.96 g/mol. Its IUPAC name is 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol.

Molecular Properties

Compound Name4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol
PubChem CID157238818
Molecular FormulaC24H56O11Si3
Molecular Weight604.96 g/mol
Exact Mass604.31
IUPAC Name4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol
SMILESCO[Si](CCCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)COCCC(C)O)(OC)OC
InChIInChI=1S/C24H56O11Si3/c1-23(25)14-18-35-22-24(15-11-19-36(26-2,27-3)28-4,16-12-20-37(29-5,30-6)31-7)17-13-21-38(32-8,33-9)34-10/h23,25H,11-22H2,1-10H3
InChIKeyOFWYFGHDXCLGTK-UHFFFAOYSA-N
XLogP3.74
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.96
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

4-trimethoxysilylbutan-2-ol
CID 19880936
2-ethyl-2-(5-trimethoxysilylpentoxymethyl)propane-1,3-diol;tungsten
CID 176610338
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
5-[2,2-bis(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)propoxy]pentyl-trimethoxysilane;5-[2-(ethoxymethyl)-2-[[2-(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)-2-(5-trimethoxysilylpentoxymethyl)propoxy]methyl]-3-(5-trimethoxysilylpentoxy)propoxy]pentyl-trimethoxysilane;3-[2-(ethoxymethyl)-2-[[2-(ethoxymethyl)-3-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propoxy]methyl]-3-(3-trimethoxysilylpropoxy)propoxy]propyl-trimethoxysilane;5-[2-(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)-2-[[3-(5-trimethoxysilylpentoxy)-2,2-bis(5-trimethoxysilylpentoxymethyl)propoxy]methyl]propoxy]pentyl-trimethoxysilane;3-[2-(ethoxymethyl)-3-(3-trimethoxysilylpropoxy)-2-[[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propoxy]methyl]propoxy]propyl-trimethoxysilane
CID 158154375
4-(1,5-dibutoxy-3-methylpentan-3-yl)oxybutan-2-ol
CID 175058110
N-(2,2-dibutylhexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-trimethoxysilyl-5,5-bis(3-trimethoxysilylpropyl)octan-3-amine
CID 174140987
5-(3,3-dimethylbutoxy)pentan-2-ol
CID 66227654
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575
5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309
1,4-bis[2-(3-methylbutoxy)ethoxy]-2-[2-(3-methylbutoxy)ethoxymethyl]-2-[[4-[2-(3-methylbutoxy)ethoxy]-2-[2-[2-(3-methylbutoxy)ethoxy]ethoxymethyl]-2-[2-(3-methylbutoxy)ethoxymethyl]butoxy]methyl]butane
CID 166562519
2-[2,2-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxymethyl]butoxy]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 168787203
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
CID 160918976

Frequently Asked Questions

What is the IUPAC name of 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol?
The IUPAC name of 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol (CID 157238818) is 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol.
What is the SMILES notation for 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol?
The canonical SMILES for 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol is CO[Si](CCCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)COCCC(C)O)(OC)OC.
What is the InChIKey of 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol?
The InChIKey is OFWYFGHDXCLGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56O11Si3/c1-23(25)14-18-35-22-24(15-11-19-36(26-2,27-3)28-4,16-12-20-37(29-5,30-6)31-7)17-13-21-38(32-8,33-9)34-10/h23,25H,11-22H2,1-10H3.
What are the key properties of 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol?
4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol has a molecular weight of 604.96 g/mol, XLogP of 3.74, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol is sourced from PubChem (CID 157238818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).