tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane

C17H28Cl2OSi — CID 86287443

IUPACtert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](Cl)[C@H](Cl)CCc1ccccc1
InChIInChI=1S/C17H28Cl2OSi/c1-17(2,3)21(4,5)20-13-16(19)15(18)12-11-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyJUWCVLUNZQDOPA-HZPDHXFCSA-N
MW347.40 g/mol
LogP5.86
Rot. Bonds7

About tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane

tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane (PubChem CID 86287443) has the molecular formula C17H28Cl2OSi and a molecular weight of 347.40 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
PubChem CID86287443
Molecular FormulaC17H28Cl2OSi
Molecular Weight347.40 g/mol
Exact Mass346.13
IUPAC Nametert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](Cl)[C@H](Cl)CCc1ccccc1
InChIInChI=1S/C17H28Cl2OSi/c1-17(2,3)21(4,5)20-13-16(19)15(18)12-11-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyJUWCVLUNZQDOPA-HZPDHXFCSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
CID 132522568
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955
1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
CID 22628511
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane (CID 86287443) is tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H](Cl)[C@H](Cl)CCc1ccccc1.
What is the InChIKey of tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane?
The InChIKey is JUWCVLUNZQDOPA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28Cl2OSi/c1-17(2,3)21(4,5)20-13-16(19)15(18)12-11-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane?
tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane has a molecular weight of 347.40 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane is sourced from PubChem (CID 86287443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).