[(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane

C23H30P2 — CID 89352845

IUPAC[(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane
SMILESC=P(c1ccccc1)(c1ccccc1)[C@@H]1C[C@H]2C[C@@H]([C@@H]1CP)C2(C)C
InChIInChI=1S/C23H30P2/c1-23(2)17-14-21(23)20(16-24)22(15-17)25(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-22H,3,14-16,24H2,1-2H3/t17-,20+,21+,22-/m1/s1
InChIKeyXNEXRDOGEDGYAN-KDXIVRHGSA-N
MW368.44 g/mol
LogP5.01
Rot. Bonds4

About [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane

[(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane (PubChem CID 89352845) has the molecular formula C23H30P2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane.

Molecular Properties

Compound Name[(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane
PubChem CID89352845
Molecular FormulaC23H30P2
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane
SMILESC=P(c1ccccc1)(c1ccccc1)[C@@H]1C[C@H]2C[C@@H]([C@@H]1CP)C2(C)C
InChIInChI=1S/C23H30P2/c1-23(2)17-14-21(23)20(16-24)22(15-17)25(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-22H,3,14-16,24H2,1-2H3/t17-,20+,21+,22-/m1/s1
InChIKeyXNEXRDOGEDGYAN-KDXIVRHGSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane?
The IUPAC name of [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane (CID 89352845) is [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane.
What is the SMILES notation for [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane?
The canonical SMILES for [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane is C=P(c1ccccc1)(c1ccccc1)[C@@H]1C[C@H]2C[C@@H]([C@@H]1CP)C2(C)C.
What is the InChIKey of [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane?
The InChIKey is XNEXRDOGEDGYAN-KDXIVRHGSA-N. The full InChI is InChI=1S/C23H30P2/c1-23(2)17-14-21(23)20(16-24)22(15-17)25(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20-22H,3,14-16,24H2,1-2H3/t17-,20+,21+,22-/m1/s1.
What are the key properties of [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane?
[(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane has a molecular weight of 368.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,5R)-6,6-dimethyl-2-(phosphanylmethyl)-3-bicyclo[3.1.1]heptanyl]-methylidene-diphenyl-λ5-phosphane is sourced from PubChem (CID 89352845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).