4-(1-hydroxyhexyl)-2H-furan-5-one

C10H16O3 — CID 14226622

IUPAC4-(1-hydroxyhexyl)-2H-furan-5-one
SMILESCCCCCC(O)C1=CCOC1=O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-9(11)8-6-7-13-10(8)12/h6,9,11H,2-5,7H2,1H3
InChIKeyDSKCJSYJYQIILG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds5

About 4-(1-hydroxyhexyl)-2H-furan-5-one

4-(1-hydroxyhexyl)-2H-furan-5-one (PubChem CID 14226622) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(1-hydroxyhexyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(1-hydroxyhexyl)-2H-furan-5-one
PubChem CID14226622
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(1-hydroxyhexyl)-2H-furan-5-one
SMILESCCCCCC(O)C1=CCOC1=O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-9(11)8-6-7-13-10(8)12/h6,9,11H,2-5,7H2,1H3
InChIKeyDSKCJSYJYQIILG-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 4-(1-hydroxyhexyl)-2H-furan-5-one?
The IUPAC name of 4-(1-hydroxyhexyl)-2H-furan-5-one (CID 14226622) is 4-(1-hydroxyhexyl)-2H-furan-5-one.
What is the SMILES notation for 4-(1-hydroxyhexyl)-2H-furan-5-one?
The canonical SMILES for 4-(1-hydroxyhexyl)-2H-furan-5-one is CCCCCC(O)C1=CCOC1=O.
What is the InChIKey of 4-(1-hydroxyhexyl)-2H-furan-5-one?
The InChIKey is DSKCJSYJYQIILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-9(11)8-6-7-13-10(8)12/h6,9,11H,2-5,7H2,1H3.
What are the key properties of 4-(1-hydroxyhexyl)-2H-furan-5-one?
4-(1-hydroxyhexyl)-2H-furan-5-one has a molecular weight of 184.23 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyhexyl)-2H-furan-5-one is sourced from PubChem (CID 14226622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).