1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene

C22H38O8P2 — CID 130470783

IUPAC1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(OC)c1
InChIInChI=1S/C22H38O8P2/c1-15(2)27-31(23,28-16(3)4)22(32(24,29-17(5)6)30-18(7)8)13-19-11-20(25-9)14-21(12-19)26-10/h11-18H,1-10H3
InChIKeyGJDWULMRNXHZDF-UHFFFAOYSA-N
MW492.49 g/mol
LogP7.09
Rot. Bonds13

About 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene

1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene (PubChem CID 130470783) has the molecular formula C22H38O8P2 and a molecular weight of 492.49 g/mol. Its IUPAC name is 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene
PubChem CID130470783
Molecular FormulaC22H38O8P2
Molecular Weight492.49 g/mol
Exact Mass492.20
IUPAC Name1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(OC)c1
InChIInChI=1S/C22H38O8P2/c1-15(2)27-31(23,28-16(3)4)22(32(24,29-17(5)6)30-18(7)8)13-19-11-20(25-9)14-21(12-19)26-10/h11-18H,1-10H3
InChIKeyGJDWULMRNXHZDF-UHFFFAOYSA-N
XLogP7.09
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.49
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene (CID 130470783) is 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene is COc1cc(C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(OC)c1.
What is the InChIKey of 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene?
The InChIKey is GJDWULMRNXHZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O8P2/c1-15(2)27-31(23,28-16(3)4)22(32(24,29-17(5)6)30-18(7)8)13-19-11-20(25-9)14-21(12-19)26-10/h11-18H,1-10H3.
What are the key properties of 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene?
1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene has a molecular weight of 492.49 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 130470783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).