1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene

C18H30O8P2 — CID 130470785

IUPAC1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene
SMILESCCOP(=O)(OCC)C(=Cc1cc(OC)cc(OC)c1)P(=O)(OCC)OCC
InChIInChI=1S/C18H30O8P2/c1-7-23-27(19,24-8-2)18(28(20,25-9-3)26-10-4)13-15-11-16(21-5)14-17(12-15)22-6/h11-14H,7-10H2,1-6H3
InChIKeyAZCRNMBGVPMDEY-UHFFFAOYSA-N
MW436.38 g/mol
LogP5.53
Rot. Bonds13

About 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene

1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene (PubChem CID 130470785) has the molecular formula C18H30O8P2 and a molecular weight of 436.38 g/mol. Its IUPAC name is 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene
PubChem CID130470785
Molecular FormulaC18H30O8P2
Molecular Weight436.38 g/mol
Exact Mass436.14
IUPAC Name1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene
SMILESCCOP(=O)(OCC)C(=Cc1cc(OC)cc(OC)c1)P(=O)(OCC)OCC
InChIInChI=1S/C18H30O8P2/c1-7-23-27(19,24-8-2)18(28(20,25-9-3)26-10-4)13-15-11-16(21-5)14-17(12-15)22-6/h11-14H,7-10H2,1-6H3
InChIKeyAZCRNMBGVPMDEY-UHFFFAOYSA-N
XLogP5.53
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.38
LogP ≤ 55.53
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(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene (CID 130470785) is 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene is CCOP(=O)(OCC)C(=Cc1cc(OC)cc(OC)c1)P(=O)(OCC)OCC.
What is the InChIKey of 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene?
The InChIKey is AZCRNMBGVPMDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O8P2/c1-7-23-27(19,24-8-2)18(28(20,25-9-3)26-10-4)13-15-11-16(21-5)14-17(12-15)22-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene?
1-[2,2-bis(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene has a molecular weight of 436.38 g/mol, XLogP of 5.53, 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(diethoxyphosphoryl)ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 130470785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).