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

C26H40BF4P2Rh- — CID 163355958

IUPAC(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CC1CC[C@H](C)P1c1ccccc1P1[C@@H](C)CC[C@@H]1C.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C18H28P2.C8H12.BF4.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16?,20?;;;/m0.../s1
InChIKeyZUMNNKGIZSDCBZ-RYAYCTBHSA-N
MW604.26 g/mol
LogP9.01
Rot. Bonds2

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

(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate (PubChem CID 163355958) has the molecular formula C26H40BF4P2Rh- and a molecular weight of 604.26 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate
PubChem CID163355958
Molecular FormulaC26H40BF4P2Rh-
Molecular Weight604.26 g/mol
Exact Mass604.17
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CC1CC[C@H](C)P1c1ccccc1P1[C@@H](C)CC[C@@H]1C.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C18H28P2.C8H12.BF4.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16?,20?;;;/m0.../s1
InChIKeyZUMNNKGIZSDCBZ-RYAYCTBHSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.26
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate (CID 163355958) is (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.CC1CC[C@H](C)P1c1ccccc1P1[C@@H](C)CC[C@@H]1C.F[B-](F)(F)F.[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate?
The InChIKey is ZUMNNKGIZSDCBZ-RYAYCTBHSA-N. The full InChI is InChI=1S/C18H28P2.C8H12.BF4.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16?,20?;;;/m0.../s1.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate?
(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate has a molecular weight of 604.26 g/mol, XLogP of 9.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate is sourced from PubChem (CID 163355958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).