[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium

C12H21F3O3P+ — CID 134969378

IUPAC[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESCCC/C=C/C(CCCC)O[P+](=O)OCC(F)(F)F
InChIInChI=1S/C12H21F3O3P/c1-3-5-7-9-11(8-6-4-2)18-19(16)17-10-12(13,14)15/h7,9,11H,3-6,8,10H2,1-2H3/q+1/b9-7+
InChIKeyQFSALIGVKOKIGZ-VQHVLOKHSA-N
MW301.27 g/mol
LogP5.15
Rot. Bonds10

About [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium

[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 134969378) has the molecular formula C12H21F3O3P+ and a molecular weight of 301.27 g/mol. Its IUPAC name is [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Name[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID134969378
Molecular FormulaC12H21F3O3P+
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESCCC/C=C/C(CCCC)O[P+](=O)OCC(F)(F)F
InChIInChI=1S/C12H21F3O3P/c1-3-5-7-9-11(8-6-4-2)18-19(16)17-10-12(13,14)15/h7,9,11H,3-6,8,10H2,1-2H3/q+1/b9-7+
InChIKeyQFSALIGVKOKIGZ-VQHVLOKHSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.27
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-oct-2-enyl] bis(2,2,2-trifluoroethyl) phosphate
CID 11036077
[1-(Difluoromethyl)cyclohex-2-en-1-yl] diethyl phosphate
CID 176437744
[(E)-1,1-difluorodec-3-en-2-yl] diethyl phosphate
CID 176437754
Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
Cyclohex-2-en-1-yloxy-(4-fluorobutoxy)-(4-fluorobutyl)phosphane
CID 57050496
3-[Cyclohex-2-en-1-yloxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexene
CID 87155923
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
[(1S)-cyclohex-2-en-1-yl] diethyl phosphate
CID 132515185
(1-Deuteriocyclohex-2-en-1-yl) diethyl phosphate
CID 134860192
diethyl [(E)-non-5-en-4-yl] phosphate
CID 134891116
[(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium
CID 134969438
Cyclohex-2-en-1-yl diethyl phosphite
CID 13574442

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium (CID 134969378) is [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium is CCC/C=C/C(CCCC)O[P+](=O)OCC(F)(F)F.
What is the InChIKey of [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is QFSALIGVKOKIGZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H21F3O3P/c1-3-5-7-9-11(8-6-4-2)18-19(16)17-10-12(13,14)15/h7,9,11H,3-6,8,10H2,1-2H3/q+1/b9-7+.
What are the key properties of [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 301.27 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 134969378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).