3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one

C10H16O4 — CID 67650158

IUPAC3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one
SMILESCCCCCC1=C(O)C(CO)OC1=O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-7-9(12)8(6-11)14-10(7)13/h8,11-12H,2-6H2,1H3
InChIKeyYOWXITCBKQFSCP-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds5

About 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one

3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one (PubChem CID 67650158) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one
PubChem CID67650158
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one
SMILESCCCCCC1=C(O)C(CO)OC1=O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-7-9(12)8(6-11)14-10(7)13/h8,11-12H,2-6H2,1H3
InChIKeyYOWXITCBKQFSCP-UHFFFAOYSA-N
XLogP1.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
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 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one (CID 67650158) is 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one is CCCCCC1=C(O)C(CO)OC1=O.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one?
The InChIKey is YOWXITCBKQFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-4-5-7-9(12)8(6-11)14-10(7)13/h8,11-12H,2-6H2,1H3.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one?
3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one has a molecular weight of 200.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-4-pentyl-2H-furan-5-one is sourced from PubChem (CID 67650158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).