[(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane

C15H24Cl2OSi — CID 134839606

IUPAC[(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC[C@H](Cl)[C@H](Cl)c1ccccc1
InChIInChI=1S/C15H24Cl2OSi/c1-4-19(5-2,6-3)18-12-14(16)15(17)13-10-8-7-9-11-13/h7-11,14-15H,4-6,12H2,1-3H3/t14-,15+/m0/s1
InChIKeyCZDIVBVZWIUHPV-LSDHHAIUSA-N
MW319.35 g/mol
LogP5.60
Rot. Bonds8

About [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane

[(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane (PubChem CID 134839606) has the molecular formula C15H24Cl2OSi and a molecular weight of 319.35 g/mol. Its IUPAC name is [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane.

Molecular Properties

Compound Name[(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane
PubChem CID134839606
Molecular FormulaC15H24Cl2OSi
Molecular Weight319.35 g/mol
Exact Mass318.10
IUPAC Name[(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC[C@H](Cl)[C@H](Cl)c1ccccc1
InChIInChI=1S/C15H24Cl2OSi/c1-4-19(5-2,6-3)18-12-14(16)15(17)13-10-8-7-9-11-13/h7-11,14-15H,4-6,12H2,1-3H3/t14-,15+/m0/s1
InChIKeyCZDIVBVZWIUHPV-LSDHHAIUSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.35
LogP ≤ 55.60
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(((4-(chloromethyl)phenyl)methoxy))dimethylsilane
CID 57969477
Trimethyl(3-phenylpropoxy)silane
CID 518979
Silane, [2-[4-(chloromethyl)phenyl]ethyl]triethoxy-
CID 56995244
Triethyl(3-phenylpropoxy)silane
CID 561771
(1-Chloro-3-methoxypropyl)benzene
CID 592345
1-Dimethyl(chloromethyl)silyloxy-2-phenylethane
CID 601558
Silane, triethyl(2-phenylethoxy)-
CID 610043
1-Tripropylsilyloxy-3-phenylpropane
CID 619293
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
Tert-butyldimethyl(3-phenylpropoxy)silane
CID 10083485
Methoxymethylbenzyl chloride
CID 14269118
Silane, ethyldimethyl(3-phenylpropoxy)-
CID 576298

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane?
The IUPAC name of [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane (CID 134839606) is [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane.
What is the SMILES notation for [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane?
The canonical SMILES for [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane is CC[Si](CC)(CC)OC[C@H](Cl)[C@H](Cl)c1ccccc1.
What is the InChIKey of [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane?
The InChIKey is CZDIVBVZWIUHPV-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24Cl2OSi/c1-4-19(5-2,6-3)18-12-14(16)15(17)13-10-8-7-9-11-13/h7-11,14-15H,4-6,12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane?
[(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane has a molecular weight of 319.35 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2,3-dichloro-3-phenylpropoxy]-triethylsilane is sourced from PubChem (CID 134839606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).