(1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate

C32H56F3O3P2RhS- — CID 11029015

IUPAC(1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate
SMILESC1=C\CC/C=C\CC/1.CP(C1CCCCCCC1)[C@H]1CCC[C@@H]1P(C)C1CCCCCCC1.O=S(=O)([O-])C(F)(F)F.[Rh]
InChIInChI=1S/C23H44P2.C8H12.CHF3O3S.Rh/c1-24(20-14-9-5-3-6-10-15-20)22-18-13-19-23(22)25(2)21-16-11-7-4-8-12-17-21;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h20-23H,3-19H2,1-2H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;;/t22-,23-,24?,25?;;;/m0.../s1
InChIKeyRWTOSYLMKWIATK-PEMAKEQGSA-M
MW742.71 g/mol
LogP11.08
Rot. Bonds4

About (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate

(1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate (PubChem CID 11029015) has the molecular formula C32H56F3O3P2RhS- and a molecular weight of 742.71 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate
PubChem CID11029015
Molecular FormulaC32H56F3O3P2RhS-
Molecular Weight742.71 g/mol
Exact Mass742.24
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate
SMILESC1=C\CC/C=C\CC/1.CP(C1CCCCCCC1)[C@H]1CCC[C@@H]1P(C)C1CCCCCCC1.O=S(=O)([O-])C(F)(F)F.[Rh]
InChIInChI=1S/C23H44P2.C8H12.CHF3O3S.Rh/c1-24(20-14-9-5-3-6-10-15-20)22-18-13-19-23(22)25(2)21-16-11-7-4-8-12-17-21;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h20-23H,3-19H2,1-2H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;;/t22-,23-,24?,25?;;;/m0.../s1
InChIKeyRWTOSYLMKWIATK-PEMAKEQGSA-M
XLogP11.08
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.71
LogP ≤ 511.08
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;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate (CID 11029015) is (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate is C1=C\CC/C=C\CC/1.CP(C1CCCCCCC1)[C@H]1CCC[C@@H]1P(C)C1CCCCCCC1.O=S(=O)([O-])C(F)(F)F.[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate?
The InChIKey is RWTOSYLMKWIATK-PEMAKEQGSA-M. The full InChI is InChI=1S/C23H44P2.C8H12.CHF3O3S.Rh/c1-24(20-14-9-5-3-6-10-15-20)22-18-13-19-23(22)25(2)21-16-11-7-4-8-12-17-21;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h20-23H,3-19H2,1-2H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;;/t22-,23-,24?,25?;;;/m0.../s1.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate?
(1Z,5Z)-cycloocta-1,5-diene;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate has a molecular weight of 742.71 g/mol, XLogP of 11.08, 4 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;cyclooctyl-[(1S,2S)-2-[cyclooctyl(methyl)phosphanyl]cyclopentyl]-methylphosphane;rhodium;trifluoromethanesulfonate is sourced from PubChem (CID 11029015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).