[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane

C30H26O2Si — CID 87316581

IUPAC[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane
SMILESCOCOc1cc2ccccc2cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O2Si/c1-31-23-32-29-21-24-13-11-12-14-25(24)22-30(29)33(26-15-5-2-6-16-26,27-17-7-3-8-18-27)28-19-9-4-10-20-28/h2-22H,23H2,1H3
InChIKeyZGZDRNBWMWPGDU-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.20
Rot. Bonds7

About [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane

[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane (PubChem CID 87316581) has the molecular formula C30H26O2Si and a molecular weight of 446.62 g/mol. Its IUPAC name is [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane
PubChem CID87316581
Molecular FormulaC30H26O2Si
Molecular Weight446.62 g/mol
Exact Mass446.17
IUPAC Name[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane
SMILESCOCOc1cc2ccccc2cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26O2Si/c1-31-23-32-29-21-24-13-11-12-14-25(24)22-30(29)33(26-15-5-2-6-16-26,27-17-7-3-8-18-27)28-19-9-4-10-20-28/h2-22H,23H2,1H3
InChIKeyZGZDRNBWMWPGDU-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane?
The IUPAC name of [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane (CID 87316581) is [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane.
What is the SMILES notation for [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane?
The canonical SMILES for [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane is COCOc1cc2ccccc2cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane?
The InChIKey is ZGZDRNBWMWPGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2Si/c1-31-23-32-29-21-24-13-11-12-14-25(24)22-30(29)33(26-15-5-2-6-16-26,27-17-7-3-8-18-27)28-19-9-4-10-20-28/h2-22H,23H2,1H3.
What are the key properties of [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane?
[3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane has a molecular weight of 446.62 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethoxy)naphthalen-2-yl]-triphenylsilane is sourced from PubChem (CID 87316581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).