2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane

C17H23ClO2Si — CID 151839763

IUPAC2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1cccc2cccc(CCl)c12
InChIInChI=1S/C17H23ClO2Si/c1-21(2,3)11-10-19-13-20-16-9-5-7-14-6-4-8-15(12-18)17(14)16/h4-9H,10-13H2,1-3H3
InChIKeySGKJMIFVTFLFOQ-UHFFFAOYSA-N
MW322.91 g/mol
LogP5.27
Rot. Bonds7

About 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane

2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 151839763) has the molecular formula C17H23ClO2Si and a molecular weight of 322.91 g/mol. Its IUPAC name is 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID151839763
Molecular FormulaC17H23ClO2Si
Molecular Weight322.91 g/mol
Exact Mass322.12
IUPAC Name2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1cccc2cccc(CCl)c12
InChIInChI=1S/C17H23ClO2Si/c1-21(2,3)11-10-19-13-20-16-9-5-7-14-6-4-8-15(12-18)17(14)16/h4-9H,10-13H2,1-3H3
InChIKeySGKJMIFVTFLFOQ-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.91
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane (CID 151839763) is 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOc1cccc2cccc(CCl)c12.
What is the InChIKey of 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is SGKJMIFVTFLFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2Si/c1-21(2,3)11-10-19-13-20-16-9-5-7-14-6-4-8-15(12-18)17(14)16/h4-9H,10-13H2,1-3H3.
What are the key properties of 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 322.91 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151839763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).