1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol

C13H30O5Si — CID 87946717

IUPAC1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
SMILESCCCC[Si](C)(C)OCC(O)COCCOCCO
InChIInChI=1S/C13H30O5Si/c1-4-5-10-19(2,3)18-12-13(15)11-17-9-8-16-7-6-14/h13-15H,4-12H2,1-3H3
InChIKeyJTDAUXMFYGPNLE-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.39
Rot. Bonds13

About 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol

1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol (PubChem CID 87946717) has the molecular formula C13H30O5Si and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
PubChem CID87946717
Molecular FormulaC13H30O5Si
Molecular Weight294.46 g/mol
Exact Mass294.19
IUPAC Name1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
SMILESCCCC[Si](C)(C)OCC(O)COCCOCCO
InChIInChI=1S/C13H30O5Si/c1-4-5-10-19(2,3)18-12-13(15)11-17-9-8-16-7-6-14/h13-15H,4-12H2,1-3H3
InChIKeyJTDAUXMFYGPNLE-UHFFFAOYSA-N
XLogP1.39
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-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

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
CID 59187881
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
4-(2-butoxyethoxy)butane-1,3-diol
CID 174811578

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol (CID 87946717) is 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol is CCCC[Si](C)(C)OCC(O)COCCOCCO.
What is the InChIKey of 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol?
The InChIKey is JTDAUXMFYGPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O5Si/c1-4-5-10-19(2,3)18-12-13(15)11-17-9-8-16-7-6-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol?
1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol has a molecular weight of 294.46 g/mol, XLogP of 1.39, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 87946717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).