3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan

C10H18IO4P — CID 15162431

IUPAC3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan
SMILESCCOP(=O)(OCC)C1=C(I)C(C)(C)OC1
InChIInChI=1S/C10H18IO4P/c1-5-14-16(12,15-6-2)8-7-13-10(3,4)9(8)11/h5-7H2,1-4H3
InChIKeyUHFRBFJLURWVLE-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.71
Rot. Bonds5

About 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan

3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan (PubChem CID 15162431) has the molecular formula C10H18IO4P and a molecular weight of 360.13 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan
PubChem CID15162431
Molecular FormulaC10H18IO4P
Molecular Weight360.13 g/mol
Exact Mass360.00
IUPAC Name3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan
SMILESCCOP(=O)(OCC)C1=C(I)C(C)(C)OC1
InChIInChI=1S/C10H18IO4P/c1-5-14-16(12,15-6-2)8-7-13-10(3,4)9(8)11/h5-7H2,1-4H3
InChIKeyUHFRBFJLURWVLE-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-diethoxyphosphoryl-1-oxaspiro[4.5]deca-3,6-diene
CID 15525071
1-diethoxyphosphoryl-3-iodobenzene
CID 18374549
2-diethoxyphosphoryl-5-iodofuran
CID 22280644
2-diethoxyphosphoryl-5,5-dimethylcyclopent-2-en-1-one
CID 13431507
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
1-diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
3-diethoxyphosphorylbenzaldehyde
CID 10800178
(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)-trimethylsilane
CID 10783383
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
CID 11461408
CID 11461408

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan?
The IUPAC name of 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan (CID 15162431) is 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan.
What is the SMILES notation for 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan?
The canonical SMILES for 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan is CCOP(=O)(OCC)C1=C(I)C(C)(C)OC1.
What is the InChIKey of 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan?
The InChIKey is UHFRBFJLURWVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IO4P/c1-5-14-16(12,15-6-2)8-7-13-10(3,4)9(8)11/h5-7H2,1-4H3.
What are the key properties of 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan?
3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan has a molecular weight of 360.13 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan is sourced from PubChem (CID 15162431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).