[(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane

C12H19ClO3Si — CID 129406500

IUPAC[(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane
SMILESCO[Si](C[C@@H](CCl)c1ccccc1)(OC)OC
InChIInChI=1S/C12H19ClO3Si/c1-14-17(15-2,16-3)10-12(9-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyHJIZDSWQHMHTQC-GFCCVEGCSA-N
MW274.82 g/mol
LogP2.89
Rot. Bonds7

About [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane

[(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane (PubChem CID 129406500) has the molecular formula C12H19ClO3Si and a molecular weight of 274.82 g/mol. Its IUPAC name is [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane.

Molecular Properties

Compound Name[(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane
PubChem CID129406500
Molecular FormulaC12H19ClO3Si
Molecular Weight274.82 g/mol
Exact Mass274.08
IUPAC Name[(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane
SMILESCO[Si](C[C@@H](CCl)c1ccccc1)(OC)OC
InChIInChI=1S/C12H19ClO3Si/c1-14-17(15-2,16-3)10-12(9-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyHJIZDSWQHMHTQC-GFCCVEGCSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
1-phenyl-2-trimethoxysilylethanol
CID 67153670
1-chloropentan-2-ylbenzene
CID 524326
1,5-dichloropentan-2-ylbenzene
CID 70049955
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene
CID 66033669
1-chlorooctan-2-ylbenzene
CID 66033446
N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234
silane;N-(1-trimethoxysilylpropan-2-yl)aniline
CID 173063334
CID 162473874
CID 162473874
benzhydryl(trimethoxy)silane
CID 121237435
4-(1-chlorobutan-2-yl)pyridine
CID 141093425

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane?
The IUPAC name of [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane (CID 129406500) is [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane.
What is the SMILES notation for [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane?
The canonical SMILES for [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane is CO[Si](C[C@@H](CCl)c1ccccc1)(OC)OC.
What is the InChIKey of [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane?
The InChIKey is HJIZDSWQHMHTQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19ClO3Si/c1-14-17(15-2,16-3)10-12(9-13)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane?
[(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane has a molecular weight of 274.82 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-chloro-2-phenylpropyl]-trimethoxysilane is sourced from PubChem (CID 129406500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).