2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol

C18H32O3Si — CID 18790481

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
SMILESCC(C)(C)[Si](C)(C)OCCC(Cc1ccccc1)OCCO
InChIInChI=1S/C18H32O3Si/c1-18(2,3)22(4,5)21-13-11-17(20-14-12-19)15-16-9-7-6-8-10-16/h6-10,17,19H,11-15H2,1-5H3
InChIKeyXXXGDSXJMBXCIW-UHFFFAOYSA-N
MW324.54 g/mol
LogP4.02
Rot. Bonds9

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol

2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol (PubChem CID 18790481) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
PubChem CID18790481
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
SMILESCC(C)(C)[Si](C)(C)OCCC(Cc1ccccc1)OCCO
InChIInChI=1S/C18H32O3Si/c1-18(2,3)22(4,5)21-13-11-17(20-14-12-19)15-16-9-7-6-8-10-16/h6-10,17,19H,11-15H2,1-5H3
InChIKeyXXXGDSXJMBXCIW-UHFFFAOYSA-N
XLogP4.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.02
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

2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
2-(1-amino-3-phenylpropan-2-yl)oxyethanol
CID 103376743
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
(2R)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 10503965
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
CID 100966683
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol (CID 18790481) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol is CC(C)(C)[Si](C)(C)OCCC(Cc1ccccc1)OCCO.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol?
The InChIKey is XXXGDSXJMBXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-18(2,3)22(4,5)21-13-11-17(20-14-12-19)15-16-9-7-6-8-10-16/h6-10,17,19H,11-15H2,1-5H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol?
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol has a molecular weight of 324.54 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol is sourced from PubChem (CID 18790481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).