2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide

C16H16OP2 — CID 11129874

IUPAC2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide
SMILESO=P1(c2ccccc2)CCC2C1P2c1ccccc1
InChIInChI=1S/C16H16OP2/c17-19(14-9-5-2-6-10-14)12-11-15-16(19)18(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
InChIKeyLGTFJYWCOSIWSM-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.59
Rot. Bonds2

About 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide

2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide (PubChem CID 11129874) has the molecular formula C16H16OP2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide.

Molecular Properties

Compound Name2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide
PubChem CID11129874
Molecular FormulaC16H16OP2
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide
SMILESO=P1(c2ccccc2)CCC2C1P2c1ccccc1
InChIInChI=1S/C16H16OP2/c17-19(14-9-5-2-6-10-14)12-11-15-16(19)18(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
InChIKeyLGTFJYWCOSIWSM-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.59
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

2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide
CID 142765666
(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 134986821
2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
1-oxo-1-phenyl-1λ5-phospholane-2,3-dione
CID 66641409
CID 11716921
CID 11716921
2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 102301475
(2S,3S)-2,3-dimethyl-1-phenylphosphirane
CID 10844752
2,4-dimethyl-1-phenylphosphetane
CID 23418540
3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
CID 132561705
1-phenyl-2,3,4a,5,6,7,8,8a-octahydrophosphinolin-4-one
CID 13103983

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide?
The IUPAC name of 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide (CID 11129874) is 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide.
What is the SMILES notation for 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide?
The canonical SMILES for 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide is O=P1(c2ccccc2)CCC2C1P2c1ccccc1.
What is the InChIKey of 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide?
The InChIKey is LGTFJYWCOSIWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OP2/c17-19(14-9-5-2-6-10-14)12-11-15-16(19)18(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2.
What are the key properties of 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide?
2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide has a molecular weight of 286.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide is sourced from PubChem (CID 11129874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).