3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol

C23H54O4Si3 — CID 158533030

IUPAC3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol
SMILESC[Si](C)(C)CCCOCC(CO)(COCCC[Si](C)(C)C)COCCC[Si](C)(C)C
InChIInChI=1S/C23H54O4Si3/c1-28(2,3)16-10-13-25-20-23(19-24,21-26-14-11-17-29(4,5)6)22-27-15-12-18-30(7,8)9/h24H,10-22H2,1-9H3
InChIKeyVXJRLLXXTMGMGX-UHFFFAOYSA-N
MW478.94 g/mol
LogP6.20
Rot. Bonds19

About 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol

3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol (PubChem CID 158533030) has the molecular formula C23H54O4Si3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol
PubChem CID158533030
Molecular FormulaC23H54O4Si3
Molecular Weight478.94 g/mol
Exact Mass478.33
IUPAC Name3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol
SMILESC[Si](C)(C)CCCOCC(CO)(COCCC[Si](C)(C)C)COCCC[Si](C)(C)C
InChIInChI=1S/C23H54O4Si3/c1-28(2,3)16-10-13-25-20-23(19-24,21-26-14-11-17-29(4,5)6)22-27-15-12-18-30(7,8)9/h24H,10-22H2,1-9H3
InChIKeyVXJRLLXXTMGMGX-UHFFFAOYSA-N
XLogP6.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
CID 153470020
2-(15-trimethylsilylpentadecoxy)ethanol
CID 170689159
[dimethyl(3-trimethylsilylpropoxymethyl)silyl]methanol
CID 123729856
2-(hydroxymethyl)-2-(tridecoxymethyl)propane-1,3-diol
CID 22035112
7-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]-2,2-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxymethyl]heptan-1-ol
CID 59565854
2,2-bis[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propoxymethyl]propane-1,3-diol;2,2-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]propane-1,3-diol;2,2-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol;methane
CID 157213535
2-ethyl-2-(5-trimethoxysilylpentoxymethyl)propane-1,3-diol;tungsten
CID 176610338
trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane
CID 123671004
2,2-bis(decoxymethyl)butan-1-ol
CID 71361310
2-ethyl-2-(octoxymethyl)propane-1,3-diol
CID 11345608
3-(3-octadecylsulfanylpropoxy)-2,2-bis(3-octadecylsulfanylpropoxymethyl)propan-1-ol
CID 57307521
2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol
CID 170388026

Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol?
The IUPAC name of 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol (CID 158533030) is 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol.
What is the SMILES notation for 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol?
The canonical SMILES for 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol is C[Si](C)(C)CCCOCC(CO)(COCCC[Si](C)(C)C)COCCC[Si](C)(C)C.
What is the InChIKey of 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol?
The InChIKey is VXJRLLXXTMGMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O4Si3/c1-28(2,3)16-10-13-25-20-23(19-24,21-26-14-11-17-29(4,5)6)22-27-15-12-18-30(7,8)9/h24H,10-22H2,1-9H3.
What are the key properties of 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol?
3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol has a molecular weight of 478.94 g/mol, XLogP of 6.20, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol is sourced from PubChem (CID 158533030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).