(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane

C27H25OP — CID 134876417

IUPAC(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane
SMILESC[C@@H]1[C@@H](c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25OP/c1-22-27(23-14-6-2-7-15-23)28-29(22,24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27H,1H3/t22-,27+/m1/s1
InChIKeyCIBBGNQLHMBNPX-AMGIVPHBSA-N
MW396.47 g/mol
LogP5.59
Rot. Bonds4

About (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane

(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane (PubChem CID 134876417) has the molecular formula C27H25OP and a molecular weight of 396.47 g/mol. Its IUPAC name is (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane.

Molecular Properties

Compound Name(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane
PubChem CID134876417
Molecular FormulaC27H25OP
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC Name(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane
SMILESC[C@@H]1[C@@H](c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25OP/c1-22-27(23-14-6-2-7-15-23)28-29(22,24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27H,1H3/t22-,27+/m1/s1
InChIKeyCIBBGNQLHMBNPX-AMGIVPHBSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane
CID 85358454
(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane
CID 134876536
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane
CID 132539210
N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
CID 15112120
4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73120912
4-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
CID 22220894
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane?
The IUPAC name of (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane (CID 134876417) is (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane.
What is the SMILES notation for (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane?
The canonical SMILES for (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane is C[C@@H]1[C@@H](c2ccccc2)OP1(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane?
The InChIKey is CIBBGNQLHMBNPX-AMGIVPHBSA-N. The full InChI is InChI=1S/C27H25OP/c1-22-27(23-14-6-2-7-15-23)28-29(22,24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27H,1H3/t22-,27+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane?
(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane has a molecular weight of 396.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane is sourced from PubChem (CID 134876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).