[4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane

C15H25ClO3Si2 — CID 90206678

IUPAC[4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane
SMILESCCC1(O[Si](C)(C)OCc2ccc(CCl)cc2)C[Si@@]1(C)O
InChIInChI=1S/C15H25ClO3Si2/c1-5-15(12-21(15,4)17)19-20(2,3)18-11-14-8-6-13(10-16)7-9-14/h6-9,17H,5,10-12H2,1-4H3/t15?,21-/m1/s1
InChIKeyXLXSCDXTAMCXFD-MZVUKIKXSA-N
MW344.99 g/mol
LogP3.93
Rot. Bonds7

About [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane

[4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane (PubChem CID 90206678) has the molecular formula C15H25ClO3Si2 and a molecular weight of 344.99 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane
PubChem CID90206678
Molecular FormulaC15H25ClO3Si2
Molecular Weight344.99 g/mol
Exact Mass344.10
IUPAC Name[4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane
SMILESCCC1(O[Si](C)(C)OCc2ccc(CCl)cc2)C[Si@@]1(C)O
InChIInChI=1S/C15H25ClO3Si2/c1-5-15(12-21(15,4)17)19-20(2,3)18-11-14-8-6-13(10-16)7-9-14/h6-9,17H,5,10-12H2,1-4H3/t15?,21-/m1/s1
InChIKeyXLXSCDXTAMCXFD-MZVUKIKXSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.99
LogP ≤ 53.93
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane?
The IUPAC name of [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane (CID 90206678) is [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane.
What is the SMILES notation for [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane?
The canonical SMILES for [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane is CCC1(O[Si](C)(C)OCc2ccc(CCl)cc2)C[Si@@]1(C)O.
What is the InChIKey of [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane?
The InChIKey is XLXSCDXTAMCXFD-MZVUKIKXSA-N. The full InChI is InChI=1S/C15H25ClO3Si2/c1-5-15(12-21(15,4)17)19-20(2,3)18-11-14-8-6-13(10-16)7-9-14/h6-9,17H,5,10-12H2,1-4H3/t15?,21-/m1/s1.
What are the key properties of [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane?
[4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane has a molecular weight of 344.99 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 90206678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).