1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane

C18H32O5Si — CID 152674428

IUPAC1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane
SMILESCOCOc1ccc(C(C)O[Si](C)(C)C(C)(C)C)c(OCOC)c1
InChIInChI=1S/C18H32O5Si/c1-14(23-24(7,8)18(2,3)4)16-10-9-15(21-12-19-5)11-17(16)22-13-20-6/h9-11,14H,12-13H2,1-8H3
InChIKeyZMFQGDDBWOFMCK-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.73
Rot. Bonds9

About 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane

1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 152674428) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane
PubChem CID152674428
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane
SMILESCOCOc1ccc(C(C)O[Si](C)(C)C(C)(C)C)c(OCOC)c1
InChIInChI=1S/C18H32O5Si/c1-14(23-24(7,8)18(2,3)4)16-10-9-15(21-12-19-5)11-17(16)22-13-20-6/h9-11,14H,12-13H2,1-8H3
InChIKeyZMFQGDDBWOFMCK-UHFFFAOYSA-N
XLogP4.73
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane (CID 152674428) is 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane is COCOc1ccc(C(C)O[Si](C)(C)C(C)(C)C)c(OCOC)c1.
What is the InChIKey of 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is ZMFQGDDBWOFMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-14(23-24(7,8)18(2,3)4)16-10-9-15(21-12-19-5)11-17(16)22-13-20-6/h9-11,14H,12-13H2,1-8H3.
What are the key properties of 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane?
1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 356.54 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 152674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).