bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate

C19H36BF4P2Rh- — CID 11734019

IUPACbicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate
SMILESC1=CC2C=CC1C2.C[P@@](CC[P@](C)C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C12H28P2.C7H8.BF4.Rh/c1-11(2,3)13(7)9-10-14(8)12(4,5)6;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h9-10H2,1-8H3;1-4,6-7H,5H2;;/q;;-1;/t13-,14-;;;/m0.../s1
InChIKeyVODFAHBDCURXFX-CRRLZWOWSA-N
MW516.16 g/mol
LogP7.85
Rot. Bonds3

About bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate

bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate (PubChem CID 11734019) has the molecular formula C19H36BF4P2Rh- and a molecular weight of 516.16 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate
PubChem CID11734019
Molecular FormulaC19H36BF4P2Rh-
Molecular Weight516.16 g/mol
Exact Mass516.14
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate
SMILESC1=CC2C=CC1C2.C[P@@](CC[P@](C)C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C12H28P2.C7H8.BF4.Rh/c1-11(2,3)13(7)9-10-14(8)12(4,5)6;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h9-10H2,1-8H3;1-4,6-7H,5H2;;/q;;-1;/t13-,14-;;;/m0.../s1
InChIKeyVODFAHBDCURXFX-CRRLZWOWSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.16
LogP ≤ 57.85
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 bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate (CID 11734019) is bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate is C1=CC2C=CC1C2.C[P@@](CC[P@](C)C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.[Rh].
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate?
The InChIKey is VODFAHBDCURXFX-CRRLZWOWSA-N. The full InChI is InChI=1S/C12H28P2.C7H8.BF4.Rh/c1-11(2,3)13(7)9-10-14(8)12(4,5)6;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h9-10H2,1-8H3;1-4,6-7H,5H2;;/q;;-1;/t13-,14-;;;/m0.../s1.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate?
bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate has a molecular weight of 516.16 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate is sourced from PubChem (CID 11734019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).