azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)

C8H25F6N5O7OsS2 — CID 135047319

IUPACazane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)
SMILESC=CCOCC=C.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C6H10O.2CHF3O3S.5H3N.Os/c1-3-5-7-6-4-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-4H,1-2,5-6H2;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyPCTACLNUKMMJPS-UHFFFAOYSA-L
MW671.67 g/mol
LogP2.29
Rot. Bonds4

About azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)

azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate) (PubChem CID 135047319) has the molecular formula C8H25F6N5O7OsS2 and a molecular weight of 671.67 g/mol. Its IUPAC name is azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)
PubChem CID135047319
Molecular FormulaC8H25F6N5O7OsS2
Molecular Weight671.67 g/mol
Exact Mass673.07
IUPAC Nameazane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)
SMILESC=CCOCC=C.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C6H10O.2CHF3O3S.5H3N.Os/c1-3-5-7-6-4-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-4H,1-2,5-6H2;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyPCTACLNUKMMJPS-UHFFFAOYSA-L
XLogP2.29
TPSA298.63 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.67
LogP ≤ 52.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

dipotassium;3-prop-2-enoxyprop-1-ene;sulfate
CID 173463307
magnesium;3-prop-2-enoxyprop-1-ene;sulfate
CID 87083397
azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)
CID 10952890
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
CID 170997250
CID 170997250
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
CID 173410015
3-prop-2-enoxypropane-1-sulfonate
CID 3556888

Frequently Asked Questions

What is the IUPAC name of azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)?
The IUPAC name of azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate) (CID 135047319) is azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate) is C=CCOCC=C.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].
What is the InChIKey of azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)?
The InChIKey is PCTACLNUKMMJPS-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O.2CHF3O3S.5H3N.Os/c1-3-5-7-6-4-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-4H,1-2,5-6H2;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.
What are the key properties of azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate)?
azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate) has a molecular weight of 671.67 g/mol, XLogP of 2.29, 4 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;osmium(2+);3-prop-2-enoxyprop-1-ene;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 135047319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).