(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate

C26H48BF4P2Rh- — CID 121234215

IUPAC(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CC[C@H]1CC[C@H](CC)P1CCP1[C@@H](CC)CC[C@@H]1CC.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C18H36P2.C8H12.BF4.Rh/c1-5-15-9-10-16(6-2)19(15)13-14-20-17(7-3)11-12-18(20)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h15-18H,5-14H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t15-,16-,17-,18-;;;/m0.../s1
InChIKeyPJGNNLUCYADUOI-UMVVTMBBSA-N
MW612.33 g/mol
LogP10.62
Rot. Bonds7

About (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate

(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate (PubChem CID 121234215) has the molecular formula C26H48BF4P2Rh- and a molecular weight of 612.33 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
PubChem CID121234215
Molecular FormulaC26H48BF4P2Rh-
Molecular Weight612.33 g/mol
Exact Mass612.23
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CC[C@H]1CC[C@H](CC)P1CCP1[C@@H](CC)CC[C@@H]1CC.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C18H36P2.C8H12.BF4.Rh/c1-5-15-9-10-16(6-2)19(15)13-14-20-17(7-3)11-12-18(20)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h15-18H,5-14H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t15-,16-,17-,18-;;;/m0.../s1
InChIKeyPJGNNLUCYADUOI-UMVVTMBBSA-N
XLogP10.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.33
LogP ≤ 510.62
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,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate (CID 121234215) is (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.CC[C@H]1CC[C@H](CC)P1CCP1[C@@H](CC)CC[C@@H]1CC.F[B-](F)(F)F.[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?
The InChIKey is PJGNNLUCYADUOI-UMVVTMBBSA-N. The full InChI is InChI=1S/C18H36P2.C8H12.BF4.Rh/c1-5-15-9-10-16(6-2)19(15)13-14-20-17(7-3)11-12-18(20)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h15-18H,5-14H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t15-,16-,17-,18-;;;/m0.../s1.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?
(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate has a molecular weight of 612.33 g/mol, XLogP of 10.62, 7 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,5S)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate is sourced from PubChem (CID 121234215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).