2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one

C11H18O4 — CID 118248588

IUPAC2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one
SMILESCCCOCCOC1=C(C)OC(C)C1=O
InChIInChI=1S/C11H18O4/c1-4-5-13-6-7-14-11-9(3)15-8(2)10(11)12/h8H,4-7H2,1-3H3
InChIKeyRPTFXWRJDSIBJT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds6

About 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one

2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one (PubChem CID 118248588) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one
PubChem CID118248588
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one
SMILESCCCOCCOC1=C(C)OC(C)C1=O
InChIInChI=1S/C11H18O4/c1-4-5-13-6-7-14-11-9(3)15-8(2)10(11)12/h8H,4-7H2,1-3H3
InChIKeyRPTFXWRJDSIBJT-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one?
The IUPAC name of 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one (CID 118248588) is 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one?
The canonical SMILES for 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one is CCCOCCOC1=C(C)OC(C)C1=O.
What is the InChIKey of 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one?
The InChIKey is RPTFXWRJDSIBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-5-13-6-7-14-11-9(3)15-8(2)10(11)12/h8H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one?
2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one has a molecular weight of 214.26 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one is sourced from PubChem (CID 118248588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).