2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol

C20H36O2Si — CID 10854396

IUPAC2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol
SMILESCCCC[Si](OCC(O)c1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-9-15-23(19(2,3)4,20(5,6)7)22-16-18(21)17-13-11-10-12-14-17/h10-14,18,21H,8-9,15-16H2,1-7H3
InChIKeyOEWBKZVMOQHFBV-UHFFFAOYSA-N
MW336.59 g/mol
LogP6.08
Rot. Bonds7

About 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol

2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol (PubChem CID 10854396) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol.

Molecular Properties

Compound Name2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol
PubChem CID10854396
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol
SMILESCCCC[Si](OCC(O)c1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-9-15-23(19(2,3)4,20(5,6)7)22-16-18(21)17-13-11-10-12-14-17/h10-14,18,21H,8-9,15-16H2,1-7H3
InChIKeyOEWBKZVMOQHFBV-UHFFFAOYSA-N
XLogP6.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenylpentan-1-ol
CID 6992754
(1R)-1-phenyloctan-1-ol
CID 12794259
benzene;2-methoxy-1-phenylethanol
CID 174622919
[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
CID 140892730
[dipentoxy(propyl)silyl]-phenylmethanol
CID 140892766
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701
[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate
CID 70086946
butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane
CID 175703714
1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol?
The IUPAC name of 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol (CID 10854396) is 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol.
What is the SMILES notation for 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol?
The canonical SMILES for 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol is CCCC[Si](OCC(O)c1ccccc1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol?
The InChIKey is OEWBKZVMOQHFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-8-9-15-23(19(2,3)4,20(5,6)7)22-16-18(21)17-13-11-10-12-14-17/h10-14,18,21H,8-9,15-16H2,1-7H3.
What are the key properties of 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol?
2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol has a molecular weight of 336.59 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol is sourced from PubChem (CID 10854396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).