2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane

C14H24AsO7P — CID 23412694

IUPAC2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane
SMILESCCOP(=O)(OCC)C(O[As]1OCC(C)(C)CO1)c1ccco1
InChIInChI=1S/C14H24AsO7P/c1-5-20-23(16,21-6-2)13(12-8-7-9-17-12)22-15-18-10-14(3,4)11-19-15/h7-9,13H,5-6,10-11H2,1-4H3
InChIKeyRQHWKQDKHCCWPL-UHFFFAOYSA-N
MW410.24 g/mol
LogP3.62
Rot. Bonds8

About 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane

2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane (PubChem CID 23412694) has the molecular formula C14H24AsO7P and a molecular weight of 410.24 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane
PubChem CID23412694
Molecular FormulaC14H24AsO7P
Molecular Weight410.24 g/mol
Exact Mass410.05
IUPAC Name2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane
SMILESCCOP(=O)(OCC)C(O[As]1OCC(C)(C)CO1)c1ccco1
InChIInChI=1S/C14H24AsO7P/c1-5-20-23(16,21-6-2)13(12-8-7-9-17-12)22-15-18-10-14(3,4)11-19-15/h7-9,13H,5-6,10-11H2,1-4H3
InChIKeyRQHWKQDKHCCWPL-UHFFFAOYSA-N
XLogP3.62
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane?
The IUPAC name of 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane (CID 23412694) is 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane.
What is the SMILES notation for 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane?
The canonical SMILES for 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane is CCOP(=O)(OCC)C(O[As]1OCC(C)(C)CO1)c1ccco1.
What is the InChIKey of 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane?
The InChIKey is RQHWKQDKHCCWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24AsO7P/c1-5-20-23(16,21-6-2)13(12-8-7-9-17-12)22-15-18-10-14(3,4)11-19-15/h7-9,13H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane?
2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane has a molecular weight of 410.24 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(furan-2-yl)methoxy]-5,5-dimethyl-1,3,2-dioxarsinane is sourced from PubChem (CID 23412694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).