bis(2,6-dimethylphenyl) ethenyl phosphate

C18H21O4P — CID 11688544

IUPACbis(2,6-dimethylphenyl) ethenyl phosphate
SMILESC=COP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C
InChIInChI=1S/C18H21O4P/c1-6-20-23(19,21-17-13(2)9-7-10-14(17)3)22-18-15(4)11-8-12-16(18)5/h6-12H,1H2,2-5H3
InChIKeyRVVVBDDRVOFABD-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.65
Rot. Bonds6

About bis(2,6-dimethylphenyl) ethenyl phosphate

bis(2,6-dimethylphenyl) ethenyl phosphate (PubChem CID 11688544) has the molecular formula C18H21O4P and a molecular weight of 332.34 g/mol. Its IUPAC name is bis(2,6-dimethylphenyl) ethenyl phosphate.

Molecular Properties

Compound Namebis(2,6-dimethylphenyl) ethenyl phosphate
PubChem CID11688544
Molecular FormulaC18H21O4P
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Namebis(2,6-dimethylphenyl) ethenyl phosphate
SMILESC=COP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C
InChIInChI=1S/C18H21O4P/c1-6-20-23(19,21-17-13(2)9-7-10-14(17)3)22-18-15(4)11-8-12-16(18)5/h6-12H,1H2,2-5H3
InChIKeyRVVVBDDRVOFABD-UHFFFAOYSA-N
XLogP5.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylphenyl) ethenyl phosphate?
The IUPAC name of bis(2,6-dimethylphenyl) ethenyl phosphate (CID 11688544) is bis(2,6-dimethylphenyl) ethenyl phosphate.
What is the SMILES notation for bis(2,6-dimethylphenyl) ethenyl phosphate?
The canonical SMILES for bis(2,6-dimethylphenyl) ethenyl phosphate is C=COP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C.
What is the InChIKey of bis(2,6-dimethylphenyl) ethenyl phosphate?
The InChIKey is RVVVBDDRVOFABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O4P/c1-6-20-23(19,21-17-13(2)9-7-10-14(17)3)22-18-15(4)11-8-12-16(18)5/h6-12H,1H2,2-5H3.
What are the key properties of bis(2,6-dimethylphenyl) ethenyl phosphate?
bis(2,6-dimethylphenyl) ethenyl phosphate has a molecular weight of 332.34 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylphenyl) ethenyl phosphate is sourced from PubChem (CID 11688544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).