tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane

C19H28O2Si — CID 101433900

IUPACtert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H28O2Si/c1-19(2,3)22(4,5)20-15-9-12-17-13-14-18(21-17)16-10-7-6-8-11-16/h6-8,10-11,13-14H,9,12,15H2,1-5H3
InChIKeyNQKKYANZOBAJOE-UHFFFAOYSA-N
MW316.52 g/mol
LogP5.90
Rot. Bonds6

About tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane

tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane (PubChem CID 101433900) has the molecular formula C19H28O2Si and a molecular weight of 316.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane
PubChem CID101433900
Molecular FormulaC19H28O2Si
Molecular Weight316.52 g/mol
Exact Mass316.19
IUPAC Nametert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H28O2Si/c1-19(2,3)22(4,5)20-15-9-12-17-13-14-18(21-17)16-10-7-6-8-11-16/h6-8,10-11,13-14H,9,12,15H2,1-5H3
InChIKeyNQKKYANZOBAJOE-UHFFFAOYSA-N
XLogP5.90
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.52
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane (CID 101433900) is tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane is CC(C)(C)[Si](C)(C)OCCCc1ccc(-c2ccccc2)o1.
What is the InChIKey of tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane?
The InChIKey is NQKKYANZOBAJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2Si/c1-19(2,3)22(4,5)20-15-9-12-17-13-14-18(21-17)16-10-7-6-8-11-16/h6-8,10-11,13-14H,9,12,15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane?
tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane has a molecular weight of 316.52 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(5-phenylfuran-2-yl)propoxy]silane is sourced from PubChem (CID 101433900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).