2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one

C15H26O6 — CID 54726556

IUPAC2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one
SMILESCCCCCCCCCOC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C15H26O6/c1-2-3-4-5-6-7-8-9-20-14-12(18)13(11(17)10-16)21-15(14)19/h11,13,16-18H,2-10H2,1H3
InChIKeyVXWDHCXDDJNCDF-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.80
Rot. Bonds11

About 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one

2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one (PubChem CID 54726556) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one
PubChem CID54726556
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one
SMILESCCCCCCCCCOC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C15H26O6/c1-2-3-4-5-6-7-8-9-20-14-12(18)13(11(17)10-16)21-15(14)19/h11,13,16-18H,2-10H2,1H3
InChIKeyVXWDHCXDDJNCDF-UHFFFAOYSA-N
XLogP1.80
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one (CID 54726556) is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one is CCCCCCCCCOC1=C(O)C(C(O)CO)OC1=O.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one?
The InChIKey is VXWDHCXDDJNCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/c1-2-3-4-5-6-7-8-9-20-14-12(18)13(11(17)10-16)21-15(14)19/h11,13,16-18H,2-10H2,1H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one has a molecular weight of 302.37 g/mol, XLogP of 1.80, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-nonoxy-2H-furan-5-one is sourced from PubChem (CID 54726556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).