[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate

C26H40BF4O4P2Rh- — CID 10919453

IUPAC[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.F[B-](F)(F)F.OC[C@H]1CC[C@H](CO)P1c1ccccc1P1[C@@H](CO)CC[C@@H]1CO.[Rh]
InChIInChI=1S/C18H28O4P2.C8H12.BF4.Rh/c19-9-13-5-6-14(10-20)23(13)17-3-1-2-4-18(17)24-15(11-21)7-8-16(24)12-22;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-4,13-16,19-22H,5-12H2;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16-;;;/m1.../s1
InChIKeyIEFFXRGNAFWFAB-MYDVBLLJSA-N
MW668.26 g/mol
LogP4.90
Rot. Bonds6

About [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate

[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate (PubChem CID 10919453) has the molecular formula C26H40BF4O4P2Rh- and a molecular weight of 668.26 g/mol. Its IUPAC name is [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate.

Molecular Properties

Compound Name[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
PubChem CID10919453
Molecular FormulaC26H40BF4O4P2Rh-
Molecular Weight668.26 g/mol
Exact Mass668.15
IUPAC Name[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.F[B-](F)(F)F.OC[C@H]1CC[C@H](CO)P1c1ccccc1P1[C@@H](CO)CC[C@@H]1CO.[Rh]
InChIInChI=1S/C18H28O4P2.C8H12.BF4.Rh/c19-9-13-5-6-14(10-20)23(13)17-3-1-2-4-18(17)24-15(11-21)7-8-16(24)12-22;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-4,13-16,19-22H,5-12H2;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16-;;;/m1.../s1
InChIKeyIEFFXRGNAFWFAB-MYDVBLLJSA-N
XLogP4.90
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.26
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

Analyze [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate with MolForge

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Related Compounds

(5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
CID 171038732
(5Z)-cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
CID 171038736
(1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate
CID 163355958
(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
cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
CID 11592885
(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;perchlorate
CID 10885700
bis(cycloocta-1,5-diene);tetrafluoroborate;hydrate
CID 173157446
(5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate
CID 173319939
cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate
CID 161139684
(1Z,5Z)-cycloocta-1,5-diene;[(2S,3S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 12690485
(1Z,5Z)-cycloocta-1,5-diene;2-(2-diphenylphosphanyl-N-methylanilino)ethanol;rhodium;tetrafluoroborate
CID 10995796
(3-phenylcyclohex-3-en-1-yl)methanol
CID 15185954

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The IUPAC name of [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate (CID 10919453) is [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate.
What is the SMILES notation for [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The canonical SMILES for [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.F[B-](F)(F)F.OC[C@H]1CC[C@H](CO)P1c1ccccc1P1[C@@H](CO)CC[C@@H]1CO.[Rh].
What is the InChIKey of [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The InChIKey is IEFFXRGNAFWFAB-MYDVBLLJSA-N. The full InChI is InChI=1S/C18H28O4P2.C8H12.BF4.Rh/c19-9-13-5-6-14(10-20)23(13)17-3-1-2-4-18(17)24-15(11-21)7-8-16(24)12-22;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-4,13-16,19-22H,5-12H2;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16-;;;/m1.../s1.
What are the key properties of [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?
[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate has a molecular weight of 668.26 g/mol, XLogP of 4.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate is sourced from PubChem (CID 10919453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).