(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane

C29H27OP — CID 134876536

IUPAC(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane
SMILESC[C@@H]1[C@@H](/C=C/c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27OP/c1-24-29(23-22-25-14-6-2-7-15-25)30-31(24,26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-24,29H,1H3/b23-22+/t24-,29-/m1/s1
InChIKeyCBRBCIFNAGJRQS-VJZSZMDCSA-N
MW422.51 g/mol
LogP5.93
Rot. Bonds5

About (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane

(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane (PubChem CID 134876536) has the molecular formula C29H27OP and a molecular weight of 422.51 g/mol. Its IUPAC name is (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane.

Molecular Properties

Compound Name(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane
PubChem CID134876536
Molecular FormulaC29H27OP
Molecular Weight422.51 g/mol
Exact Mass422.18
IUPAC Name(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane
SMILESC[C@@H]1[C@@H](/C=C/c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27OP/c1-24-29(23-22-25-14-6-2-7-15-25)30-31(24,26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-24,29H,1H3/b23-22+/t24-,29-/m1/s1
InChIKeyCBRBCIFNAGJRQS-VJZSZMDCSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane with MolForge

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Related Compounds

(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
CID 11673198
(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 130359473
2-phenyl-N,N-bis(trimethylsilyl)ethenamine
CID 67654609
4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane
CID 85358454
(1R,3S,4R,5R,7R)-7-ethynyl-4-methyl-3-[(E)-2-phenylethenyl]-2,6-dioxabicyclo[3.2.1]octane
CID 102338797
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
CID 11349970
(1S,4S)-1-methyl-4-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexane
CID 102095400
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
ethyl-dimethyl-[(1E,3E)-4-phenylbuta-1,3-dienyl]silane
CID 101476587
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
3-[(E)-2-phenylethenyl]oxetane
CID 132578776

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane?
The IUPAC name of (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane (CID 134876536) is (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane.
What is the SMILES notation for (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane?
The canonical SMILES for (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane is C[C@@H]1[C@@H](/C=C/c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane?
The InChIKey is CBRBCIFNAGJRQS-VJZSZMDCSA-N. The full InChI is InChI=1S/C29H27OP/c1-24-29(23-22-25-14-6-2-7-15-25)30-31(24,26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-24,29H,1H3/b23-22+/t24-,29-/m1/s1.
What are the key properties of (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane?
(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane has a molecular weight of 422.51 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane is sourced from PubChem (CID 134876536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).