2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan

C8H15O4P — CID 23269100

IUPAC2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan
SMILESCOP(=O)(OC)C1(C)CC=C(C)O1
InChIInChI=1S/C8H15O4P/c1-7-5-6-8(2,12-7)13(9,10-3)11-4/h5H,6H2,1-4H3
InChIKeyPDPZNQYYRMDDFQ-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.51
Rot. Bonds3

About 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan

2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan (PubChem CID 23269100) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan
PubChem CID23269100
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan
SMILESCOP(=O)(OC)C1(C)CC=C(C)O1
InChIInChI=1S/C8H15O4P/c1-7-5-6-8(2,12-7)13(9,10-3)11-4/h5H,6H2,1-4H3
InChIKeyPDPZNQYYRMDDFQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dimethoxyphosphoryl-2,5-dimethyl-3H-furan?
The IUPAC name of 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan (CID 23269100) is 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan.
What is the SMILES notation for 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan?
The canonical SMILES for 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan is COP(=O)(OC)C1(C)CC=C(C)O1.
What is the InChIKey of 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan?
The InChIKey is PDPZNQYYRMDDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-7-5-6-8(2,12-7)13(9,10-3)11-4/h5H,6H2,1-4H3.
What are the key properties of 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan?
2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan has a molecular weight of 206.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-2,5-dimethyl-3H-furan is sourced from PubChem (CID 23269100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).