2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene

C20H34O6P2 — CID 132519327

IUPAC2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene
SMILESCC(C)OP(=O)(OC(C)C)C(=Cc1ccccc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C20H34O6P2/c1-15(2)23-27(21,24-16(3)4)20(14-19-12-10-9-11-13-19)28(22,25-17(5)6)26-18(7)8/h9-18H,1-8H3
InChIKeyASQDBAHNBAGERM-UHFFFAOYSA-N
MW432.43 g/mol
LogP7.07
Rot. Bonds11

About 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene

2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene (PubChem CID 132519327) has the molecular formula C20H34O6P2 and a molecular weight of 432.43 g/mol. Its IUPAC name is 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene.

Molecular Properties

Compound Name2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene
PubChem CID132519327
Molecular FormulaC20H34O6P2
Molecular Weight432.43 g/mol
Exact Mass432.18
IUPAC Name2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene
SMILESCC(C)OP(=O)(OC(C)C)C(=Cc1ccccc1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C20H34O6P2/c1-15(2)23-27(21,24-16(3)4)20(14-19-12-10-9-11-13-19)28(22,25-17(5)6)26-18(7)8/h9-18H,1-8H3
InChIKeyASQDBAHNBAGERM-UHFFFAOYSA-N
XLogP7.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene?
The IUPAC name of 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene (CID 132519327) is 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene.
What is the SMILES notation for 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene?
The canonical SMILES for 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene is CC(C)OP(=O)(OC(C)C)C(=Cc1ccccc1)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene?
The InChIKey is ASQDBAHNBAGERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6P2/c1-15(2)23-27(21,24-16(3)4)20(14-19-12-10-9-11-13-19)28(22,25-17(5)6)26-18(7)8/h9-18H,1-8H3.
What are the key properties of 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene?
2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene has a molecular weight of 432.43 g/mol, XLogP of 7.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[di(propan-2-yloxy)phosphoryl]ethenylbenzene is sourced from PubChem (CID 132519327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).