[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane

C13H21ClO2Si — CID 71446134

IUPAC[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H](CCl)COCc1ccccc1
InChIInChI=1S/C13H21ClO2Si/c1-17(2,3)16-13(9-14)11-15-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyMAVBPTVXOKVTKN-ZDUSSCGKSA-N
MW272.85 g/mol
LogP3.66
Rot. Bonds7

About [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane

[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane (PubChem CID 71446134) has the molecular formula C13H21ClO2Si and a molecular weight of 272.85 g/mol. Its IUPAC name is [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
PubChem CID71446134
Molecular FormulaC13H21ClO2Si
Molecular Weight272.85 g/mol
Exact Mass272.10
IUPAC Name[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H](CCl)COCc1ccccc1
InChIInChI=1S/C13H21ClO2Si/c1-17(2,3)16-13(9-14)11-15-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyMAVBPTVXOKVTKN-ZDUSSCGKSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
CID 101383246
trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane
CID 175436607
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
[2-(chloromethylsulfanyl)-3-phenylmethoxypropoxy]methylbenzene
CID 15612776
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene
CID 102941003
1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane (CID 71446134) is [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane is C[Si](C)(C)O[C@@H](CCl)COCc1ccccc1.
What is the InChIKey of [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane?
The InChIKey is MAVBPTVXOKVTKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21ClO2Si/c1-17(2,3)16-13(9-14)11-15-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane?
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane has a molecular weight of 272.85 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 71446134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).