triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane

C28H40F6Ge2O2 — CID 16693490

IUPACtriethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane
SMILESCC[Ge](CC)(CC)OC(c1ccccc1)(C(F)(F)F)C(O[Ge](CC)(CC)CC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C28H40F6Ge2O2/c1-7-35(8-2,9-3)37-25(27(29,30)31,23-19-15-13-16-20-23)26(28(32,33)34,24-21-17-14-18-22-24)38-36(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyMHPJTBNZEGWHMO-UHFFFAOYSA-N
MW667.83 g/mol
LogP9.95
Rot. Bonds13

About triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane

triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane (PubChem CID 16693490) has the molecular formula C28H40F6Ge2O2 and a molecular weight of 667.83 g/mol. Its IUPAC name is triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane.

Molecular Properties

Compound Nametriethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane
PubChem CID16693490
Molecular FormulaC28H40F6Ge2O2
Molecular Weight667.83 g/mol
Exact Mass670.14
IUPAC Nametriethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane
SMILESCC[Ge](CC)(CC)OC(c1ccccc1)(C(F)(F)F)C(O[Ge](CC)(CC)CC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C28H40F6Ge2O2/c1-7-35(8-2,9-3)37-25(27(29,30)31,23-19-15-13-16-20-23)26(28(32,33)34,24-21-17-14-18-22-24)38-36(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyMHPJTBNZEGWHMO-UHFFFAOYSA-N
XLogP9.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane with MolForge

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Related Compounds

Dicumyl peroxide
CID 6641
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
4,4'-bis[2-Hydroxyhexafluoroisopropyl]diphenyl
CID 137469
Diphenyl(trifluoromethyl)carbinol
CID 238346
1,1,1,4,4,4-Hexafluoro-2,3-diphenylbutane-2,3-diol
CID 320082
2,3-Diphenyl-2,3-butanediol
CID 97886
2-[4-[Cyclohexyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168278822
2-[4-[Benzyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168281096
2-[4-[Dimethyl(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
2,2-Difluoro-1,1-diphenylethanol
CID 2303871
alpha-Phenyl-alpha-propylbenzenemethanol
CID 138458
Peroxide, 1-methyl-1-[(1-methylethyl)phenyl]ethyl 1-methyl-1-phenylethyl
CID 3085518

Frequently Asked Questions

What is the IUPAC name of triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane?
The IUPAC name of triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane (CID 16693490) is triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane.
What is the SMILES notation for triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane?
The canonical SMILES for triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane is CC[Ge](CC)(CC)OC(c1ccccc1)(C(F)(F)F)C(O[Ge](CC)(CC)CC)(c1ccccc1)C(F)(F)F.
What is the InChIKey of triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane?
The InChIKey is MHPJTBNZEGWHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F6Ge2O2/c1-7-35(8-2,9-3)37-25(27(29,30)31,23-19-15-13-16-20-23)26(28(32,33)34,24-21-17-14-18-22-24)38-36(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3.
What are the key properties of triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane?
triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane has a molecular weight of 667.83 g/mol, XLogP of 9.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(1,1,1,4,4,4-hexafluoro-2,3-diphenyl-3-triethylgermyloxybutan-2-yl)oxygermane is sourced from PubChem (CID 16693490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).