azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)

C14H35F6N5O9OsS2 — CID 135047348

IUPACazane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCOC[C@@H]1C=C[C@H](C(C)(C)C(=O)OC)C1.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/C12H20O3.2CHF3O3S.5H3N.Os/c1-12(2,11(13)15-4)10-6-5-9(7-10)8-14-3;2*2-1(3,4)8(5,6)7;;;;;;/h5-6,9-10H,7-8H2,1-4H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/t9-,10+;;;;;;;;/m1......../s1
InChIKeyORNDYUMVHMXVKC-AOLWAHLTSA-L
MW785.81 g/mol
LogP2.93
Rot. Bonds4

About azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)

azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 135047348) has the molecular formula C14H35F6N5O9OsS2 and a molecular weight of 785.81 g/mol. Its IUPAC name is azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID135047348
Molecular FormulaC14H35F6N5O9OsS2
Molecular Weight785.81 g/mol
Exact Mass787.14
IUPAC Nameazane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCOC[C@@H]1C=C[C@H](C(C)(C)C(=O)OC)C1.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/C12H20O3.2CHF3O3S.5H3N.Os/c1-12(2,11(13)15-4)10-6-5-9(7-10)8-14-3;2*2-1(3,4)8(5,6)7;;;;;;/h5-6,9-10H,7-8H2,1-4H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/t9-,10+;;;;;;;;/m1......../s1
InChIKeyORNDYUMVHMXVKC-AOLWAHLTSA-L
XLogP2.93
TPSA324.93 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.81
LogP ≤ 52.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate) (CID 135047348) is azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate) is COC[C@@H]1C=C[C@H](C(C)(C)C(=O)OC)C1.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;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is ORNDYUMVHMXVKC-AOLWAHLTSA-L. The full InChI is InChI=1S/C12H20O3.2CHF3O3S.5H3N.Os/c1-12(2,11(13)15-4)10-6-5-9(7-10)8-14-3;2*2-1(3,4)8(5,6)7;;;;;;/h5-6,9-10H,7-8H2,1-4H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/t9-,10+;;;;;;;;/m1......../s1.
What are the key properties of azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)?
azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 785.81 g/mol, XLogP of 2.93, 4 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 135047348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).