4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane

C22H23O2P — CID 85358454

IUPAC4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane
SMILESCC1OP(c2ccccc2)(c2ccccc2)(c2ccccc2)OC1C
InChIInChI=1S/C22H23O2P/c1-18-19(2)24-25(23-18,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeyPDHDLCIBDFQDKI-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.17
Rot. Bonds3

About 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane

4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane (PubChem CID 85358454) has the molecular formula C22H23O2P and a molecular weight of 350.40 g/mol. Its IUPAC name is 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane
PubChem CID85358454
Molecular FormulaC22H23O2P
Molecular Weight350.40 g/mol
Exact Mass350.14
IUPAC Name4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane
SMILESCC1OP(c2ccccc2)(c2ccccc2)(c2ccccc2)OC1C
InChIInChI=1S/C22H23O2P/c1-18-19(2)24-25(23-18,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeyPDHDLCIBDFQDKI-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane?
The IUPAC name of 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane (CID 85358454) is 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane is CC1OP(c2ccccc2)(c2ccccc2)(c2ccccc2)OC1C.
What is the InChIKey of 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane?
The InChIKey is PDHDLCIBDFQDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O2P/c1-18-19(2)24-25(23-18,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3.
What are the key properties of 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane?
4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane has a molecular weight of 350.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 85358454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).