3-methoxy-4-pent-4-enyl-2H-furan-5-one

C10H14O3 — CID 11458054

IUPAC3-methoxy-4-pent-4-enyl-2H-furan-5-one
SMILESC=CCCCC1=C(OC)COC1=O
InChIInChI=1S/C10H14O3/c1-3-4-5-6-8-9(12-2)7-13-10(8)11/h3H,1,4-7H2,2H3
InChIKeyIYFPFRHHWBNWFD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds5

About 3-methoxy-4-pent-4-enyl-2H-furan-5-one

3-methoxy-4-pent-4-enyl-2H-furan-5-one (PubChem CID 11458054) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methoxy-4-pent-4-enyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methoxy-4-pent-4-enyl-2H-furan-5-one
PubChem CID11458054
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-methoxy-4-pent-4-enyl-2H-furan-5-one
SMILESC=CCCCC1=C(OC)COC1=O
InChIInChI=1S/C10H14O3/c1-3-4-5-6-8-9(12-2)7-13-10(8)11/h3H,1,4-7H2,2H3
InChIKeyIYFPFRHHWBNWFD-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-pent-4-enyl-2H-furan-5-one?
The IUPAC name of 3-methoxy-4-pent-4-enyl-2H-furan-5-one (CID 11458054) is 3-methoxy-4-pent-4-enyl-2H-furan-5-one.
What is the SMILES notation for 3-methoxy-4-pent-4-enyl-2H-furan-5-one?
The canonical SMILES for 3-methoxy-4-pent-4-enyl-2H-furan-5-one is C=CCCCC1=C(OC)COC1=O.
What is the InChIKey of 3-methoxy-4-pent-4-enyl-2H-furan-5-one?
The InChIKey is IYFPFRHHWBNWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-4-5-6-8-9(12-2)7-13-10(8)11/h3H,1,4-7H2,2H3.
What are the key properties of 3-methoxy-4-pent-4-enyl-2H-furan-5-one?
3-methoxy-4-pent-4-enyl-2H-furan-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-pent-4-enyl-2H-furan-5-one is sourced from PubChem (CID 11458054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).