4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan

C11H18ClO4P — CID 15525069

IUPAC4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan
SMILESC=CC1(C)OCC(P(=O)(OCC)OCC)=C1Cl
InChIInChI=1S/C11H18ClO4P/c1-5-11(4)10(12)9(8-14-11)17(13,15-6-2)16-7-3/h5H,1,6-8H2,2-4H3
InChIKeyTVTGIPJORUCRLW-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan

4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan (PubChem CID 15525069) has the molecular formula C11H18ClO4P and a molecular weight of 280.69 g/mol. Its IUPAC name is 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan.

Molecular Properties

Compound Name4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan
PubChem CID15525069
Molecular FormulaC11H18ClO4P
Molecular Weight280.69 g/mol
Exact Mass280.06
IUPAC Name4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan
SMILESC=CC1(C)OCC(P(=O)(OCC)OCC)=C1Cl
InChIInChI=1S/C11H18ClO4P/c1-5-11(4)10(12)9(8-14-11)17(13,15-6-2)16-7-3/h5H,1,6-8H2,2-4H3
InChIKeyTVTGIPJORUCRLW-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan?
The IUPAC name of 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan (CID 15525069) is 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan.
What is the SMILES notation for 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan?
The canonical SMILES for 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan is C=CC1(C)OCC(P(=O)(OCC)OCC)=C1Cl.
What is the InChIKey of 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan?
The InChIKey is TVTGIPJORUCRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClO4P/c1-5-11(4)10(12)9(8-14-11)17(13,15-6-2)16-7-3/h5H,1,6-8H2,2-4H3.
What are the key properties of 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan?
4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan has a molecular weight of 280.69 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-diethoxyphosphoryl-5-ethenyl-5-methyl-2H-furan is sourced from PubChem (CID 15525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).