(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol

C17H30O3Si — CID 101190578

IUPAC(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol
SMILESC[C@@H](O)CCO[Si@](C)(COCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-15(18)11-12-20-21(5,17(2,3)4)14-19-13-16-9-7-6-8-10-16/h6-10,15,18H,11-14H2,1-5H3/t15-,21-/m1/s1
InChIKeyUJZWHLIGAXDJME-QVKFZJNVSA-N
MW310.51 g/mol
LogP3.91
Rot. Bonds8

About (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol

(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol (PubChem CID 101190578) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol.

Molecular Properties

Compound Name(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol
PubChem CID101190578
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol
SMILESC[C@@H](O)CCO[Si@](C)(COCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-15(18)11-12-20-21(5,17(2,3)4)14-19-13-16-9-7-6-8-10-16/h6-10,15,18H,11-14H2,1-5H3/t15-,21-/m1/s1
InChIKeyUJZWHLIGAXDJME-QVKFZJNVSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.91
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

(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(3S,4R)-3-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-4-hydroxy-3-methylpentan-2-one
CID 100967302
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
trimethyl-[(Z,4R)-4-methyl-1-phenyl-5-phenylmethoxypent-2-en-2-yl]silane
CID 101162239
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
benzyl 3-hydroxybutyl carbonate
CID 15121666
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
(2S,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,1,1-trifluoro-6-phenylmethoxyhexan-2-ol
CID 139682002
(2S,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,1,1-trifluoro-6-phenylmethoxyhexan-2-ol
CID 139682000

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol?
The IUPAC name of (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol (CID 101190578) is (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol.
What is the SMILES notation for (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol?
The canonical SMILES for (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol is C[C@@H](O)CCO[Si@](C)(COCc1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol?
The InChIKey is UJZWHLIGAXDJME-QVKFZJNVSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-15(18)11-12-20-21(5,17(2,3)4)14-19-13-16-9-7-6-8-10-16/h6-10,15,18H,11-14H2,1-5H3/t15-,21-/m1/s1.
What are the key properties of (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol?
(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol has a molecular weight of 310.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol is sourced from PubChem (CID 101190578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).