(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate

C23H40F3O3P2RhS- — CID 10984986

IUPAC(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate
SMILESC1=C\CC/C=C\CC/1.C[C@H]1CC[C@H](C)P1CCP1[C@@H](C)CC[C@@H]1C.O=S(=O)([O-])C(F)(F)F.[Rh]
InChIInChI=1S/C14H28P2.C8H12.CHF3O3S.Rh/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h11-14H,5-10H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;;/t11-,12-,13-,14-;;;/m0.../s1
InChIKeyLQQSHTWLDKZMBA-ASDDUFFSSA-M
MW618.49 g/mol
LogP7.81
Rot. Bonds3

About (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate

(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate (PubChem CID 10984986) has the molecular formula C23H40F3O3P2RhS- and a molecular weight of 618.49 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate
PubChem CID10984986
Molecular FormulaC23H40F3O3P2RhS-
Molecular Weight618.49 g/mol
Exact Mass618.12
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate
SMILESC1=C\CC/C=C\CC/1.C[C@H]1CC[C@H](C)P1CCP1[C@@H](C)CC[C@@H]1C.O=S(=O)([O-])C(F)(F)F.[Rh]
InChIInChI=1S/C14H28P2.C8H12.CHF3O3S.Rh/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h11-14H,5-10H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;;/t11-,12-,13-,14-;;;/m0.../s1
InChIKeyLQQSHTWLDKZMBA-ASDDUFFSSA-M
XLogP7.81
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.49
LogP ≤ 57.81
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'}, {'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 (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate (CID 10984986) is (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate is C1=C\CC/C=C\CC/1.C[C@H]1CC[C@H](C)P1CCP1[C@@H](C)CC[C@@H]1C.O=S(=O)([O-])C(F)(F)F.[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate?
The InChIKey is LQQSHTWLDKZMBA-ASDDUFFSSA-M. The full InChI is InChI=1S/C14H28P2.C8H12.CHF3O3S.Rh/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h11-14H,5-10H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;;/t11-,12-,13-,14-;;;/m0.../s1.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate?
(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate has a molecular weight of 618.49 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate is sourced from PubChem (CID 10984986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).