2-methoxy-3-pentyl-2H-furan-5-one

C10H16O3 — CID 175321483

IUPAC2-methoxy-3-pentyl-2H-furan-5-one
SMILESCCCCCC1=CC(=O)OC1OC
InChIInChI=1S/C10H16O3/c1-3-4-5-6-8-7-9(11)13-10(8)12-2/h7,10H,3-6H2,1-2H3
InChIKeyNXMWXQBEDDSHBJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.02
Rot. Bonds5

About 2-methoxy-3-pentyl-2H-furan-5-one

2-methoxy-3-pentyl-2H-furan-5-one (PubChem CID 175321483) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methoxy-3-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name2-methoxy-3-pentyl-2H-furan-5-one
PubChem CID175321483
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methoxy-3-pentyl-2H-furan-5-one
SMILESCCCCCC1=CC(=O)OC1OC
InChIInChI=1S/C10H16O3/c1-3-4-5-6-8-7-9(11)13-10(8)12-2/h7,10H,3-6H2,1-2H3
InChIKeyNXMWXQBEDDSHBJ-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-3-pentyl-2H-furan-5-one?
The IUPAC name of 2-methoxy-3-pentyl-2H-furan-5-one (CID 175321483) is 2-methoxy-3-pentyl-2H-furan-5-one.
What is the SMILES notation for 2-methoxy-3-pentyl-2H-furan-5-one?
The canonical SMILES for 2-methoxy-3-pentyl-2H-furan-5-one is CCCCCC1=CC(=O)OC1OC.
What is the InChIKey of 2-methoxy-3-pentyl-2H-furan-5-one?
The InChIKey is NXMWXQBEDDSHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-6-8-7-9(11)13-10(8)12-2/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-3-pentyl-2H-furan-5-one?
2-methoxy-3-pentyl-2H-furan-5-one has a molecular weight of 184.23 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-pentyl-2H-furan-5-one is sourced from PubChem (CID 175321483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).