tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane

C15H31FOSi — CID 11033072

IUPACtert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane
SMILESCCCCCCCC1OC1(F)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31FOSi/c1-7-8-9-10-11-12-13-15(16,17-13)18(5,6)14(2,3)4/h13H,7-12H2,1-6H3
InChIKeyBTDUGSYHBWSLIY-UHFFFAOYSA-N
MW274.50 g/mol
LogP5.46
Rot. Bonds7

About tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane

tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane (PubChem CID 11033072) has the molecular formula C15H31FOSi and a molecular weight of 274.50 g/mol. Its IUPAC name is tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane
PubChem CID11033072
Molecular FormulaC15H31FOSi
Molecular Weight274.50 g/mol
Exact Mass274.21
IUPAC Nametert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane
SMILESCCCCCCCC1OC1(F)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31FOSi/c1-7-8-9-10-11-12-13-15(16,17-13)18(5,6)14(2,3)4/h13H,7-12H2,1-6H3
InChIKeyBTDUGSYHBWSLIY-UHFFFAOYSA-N
XLogP5.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-(3-octyl-2-trimethylsilyloxiran-2-yl)silane
CID 10946529
(3-Decyloxiran-2-yl)-trimethylsilane
CID 12007020
trimethyl-[(2R,3R)-3-pentyloxiran-2-yl]silane
CID 10012678
Tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane
CID 10890092
(3-Decyl-2-trimethylsilyloxiran-2-yl)-trimethylsilane
CID 12129351
(2-Hexyloxiran-2-yl)(trimethyl)silane
CID 12461212
(3-Hexyloxiran-2-yl)-trimethylsilane
CID 12498126
Trimethyl-(3-pentyl-2-propyloxiran-2-yl)silane
CID 12524690
Trimethyl-(2-pentyl-3-propyloxiran-2-yl)silane
CID 12524693
Trimethyl-(3-nonyloxiran-2-yl)silane
CID 12956573
triethyl-[(2R,3R)-3-hexyloxiran-2-yl]silane
CID 13621931
triethyl-[(2R,3R)-3-octyloxiran-2-yl]silane
CID 13679860

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane (CID 11033072) is tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane is CCCCCCCC1OC1(F)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane?
The InChIKey is BTDUGSYHBWSLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FOSi/c1-7-8-9-10-11-12-13-15(16,17-13)18(5,6)14(2,3)4/h13H,7-12H2,1-6H3.
What are the key properties of tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane?
tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane has a molecular weight of 274.50 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-fluoro-3-heptyloxiran-2-yl)-dimethylsilane is sourced from PubChem (CID 11033072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).