tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane

C21H32O4Si — CID 14986457

IUPACtert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane
SMILESCOCOc1c(OC)cc(CO[Si](C)(C)C(C)(C)C)c2cccc(C)c12
InChIInChI=1S/C21H32O4Si/c1-15-10-9-11-17-16(13-25-26(7,8)21(2,3)4)12-18(23-6)20(19(15)17)24-14-22-5/h9-12H,13-14H2,1-8H3
InChIKeyYVABWDPDHFHYEL-UHFFFAOYSA-N
MW376.57 g/mol
LogP5.66
Rot. Bonds7

About tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane

tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane (PubChem CID 14986457) has the molecular formula C21H32O4Si and a molecular weight of 376.57 g/mol. Its IUPAC name is tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane
PubChem CID14986457
Molecular FormulaC21H32O4Si
Molecular Weight376.57 g/mol
Exact Mass376.21
IUPAC Nametert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane
SMILESCOCOc1c(OC)cc(CO[Si](C)(C)C(C)(C)C)c2cccc(C)c12
InChIInChI=1S/C21H32O4Si/c1-15-10-9-11-17-16(13-25-26(7,8)21(2,3)4)12-18(23-6)20(19(15)17)24-14-22-5/h9-12H,13-14H2,1-8H3
InChIKeyYVABWDPDHFHYEL-UHFFFAOYSA-N
XLogP5.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane (CID 14986457) is tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane is COCOc1c(OC)cc(CO[Si](C)(C)C(C)(C)C)c2cccc(C)c12.
What is the InChIKey of tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane?
The InChIKey is YVABWDPDHFHYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O4Si/c1-15-10-9-11-17-16(13-25-26(7,8)21(2,3)4)12-18(23-6)20(19(15)17)24-14-22-5/h9-12H,13-14H2,1-8H3.
What are the key properties of tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane has a molecular weight of 376.57 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 14986457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).