(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol

C17H30O4Si — CID 67318767

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
SMILESCOc1ccc(OCC[C@H](O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30O4Si/c1-17(2,3)22(5,6)21-13-14(18)11-12-20-16-9-7-15(19-4)8-10-16/h7-10,14,18H,11-13H2,1-6H3/t14-/m0/s1
InChIKeyOIONGCJGUQMIFG-AWEZNQCLSA-N
MW326.51 g/mol
LogP3.85
Rot. Bonds8

About (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol (PubChem CID 67318767) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
PubChem CID67318767
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
SMILESCOc1ccc(OCC[C@H](O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30O4Si/c1-17(2,3)22(5,6)21-13-14(18)11-12-20-16-9-7-15(19-4)8-10-16/h7-10,14,18H,11-13H2,1-6H3/t14-/m0/s1
InChIKeyOIONGCJGUQMIFG-AWEZNQCLSA-N
XLogP3.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methoxyphenoxy)butane-1-sulfonic acid
CID 90743223
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
CID 10664705
1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
CID 22628511
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
CID 25257485
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
(E)-3-[4-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butoxy]phenyl]phenyl]prop-2-enoic acid
CID 150685217
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[hydroxy-(4-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 11774280

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol (CID 67318767) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol is COc1ccc(OCC[C@H](O)CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol?
The InChIKey is OIONGCJGUQMIFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-17(2,3)22(5,6)21-13-14(18)11-12-20-16-9-7-15(19-4)8-10-16/h7-10,14,18H,11-13H2,1-6H3/t14-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol has a molecular weight of 326.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol is sourced from PubChem (CID 67318767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).