tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane

C16H26OSi — CID 140678448

IUPACtert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
SMILESCC1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)CC1
InChIInChI=1S/C16H26OSi/c1-15(2,3)18(5,6)17-14-9-7-8-13(12-14)16(4)10-11-16/h7-9,12H,10-11H2,1-6H3
InChIKeyAXFICCOSHFUABJ-UHFFFAOYSA-N
MW262.47 g/mol
LogP5.12
Rot. Bonds3

About tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane

tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane (PubChem CID 140678448) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
PubChem CID140678448
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Nametert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
SMILESCC1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)CC1
InChIInChI=1S/C16H26OSi/c1-15(2,3)18(5,6)17-14-9-7-8-13(12-14)16(4)10-11-16/h7-9,12H,10-11H2,1-6H3
InChIKeyAXFICCOSHFUABJ-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane (CID 140678448) is tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane is CC1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane?
The InChIKey is AXFICCOSHFUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSi/c1-15(2,3)18(5,6)17-14-9-7-8-13(12-14)16(4)10-11-16/h7-9,12H,10-11H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane?
tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane has a molecular weight of 262.47 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane is sourced from PubChem (CID 140678448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).