3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol

C16H28O3Si — CID 70144732

IUPAC3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
SMILESCCCC[Si](C)(C)OCC(CO)OCc1ccccc1
InChIInChI=1S/C16H28O3Si/c1-4-5-11-20(2,3)19-14-16(12-17)18-13-15-9-7-6-8-10-15/h6-10,16-17H,4-5,11-14H2,1-3H3
InChIKeyHWKJCHZPSPMONA-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.59
Rot. Bonds10

About 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol

3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol (PubChem CID 70144732) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
PubChem CID70144732
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
SMILESCCCC[Si](C)(C)OCC(CO)OCc1ccccc1
InChIInChI=1S/C16H28O3Si/c1-4-5-11-20(2,3)19-14-16(12-17)18-13-15-9-7-6-8-10-15/h6-10,16-17H,4-5,11-14H2,1-3H3
InChIKeyHWKJCHZPSPMONA-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
butyl-dimethyl-(2-phenylethoxy)silane
CID 601576
(2S)-3-(3-phenoxypropoxy)-2-phenylmethoxypropan-1-ol
CID 162458936
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
4-phenylmethoxynonadecan-1-ol
CID 15735676
3-(2-phenylmethoxyhexadecoxy)propane-1,2-diol
CID 23238760
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
2-phenylmethoxy-3-(2-phenylmethoxy-3-prop-2-enoxypropoxy)propan-1-ol
CID 171850384
butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane
CID 175703714
3-(2-ethyl-4-tetradecylphenoxy)-2-phenylmethoxypropan-1-ol
CID 14256198

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol?
The IUPAC name of 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol (CID 70144732) is 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol?
The canonical SMILES for 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol is CCCC[Si](C)(C)OCC(CO)OCc1ccccc1.
What is the InChIKey of 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol?
The InChIKey is HWKJCHZPSPMONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-4-5-11-20(2,3)19-14-16(12-17)18-13-15-9-7-6-8-10-15/h6-10,16-17H,4-5,11-14H2,1-3H3.
What are the key properties of 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol?
3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol has a molecular weight of 296.48 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 70144732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).