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

C16H26O7 — CID 14843445

IUPAC2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one
SMILESCCCCCCCCC(=O)COC1=C(O)C(=O)OC1C(O)CO
InChIInChI=1S/C16H26O7/c1-2-3-4-5-6-7-8-11(18)10-22-15-13(20)16(21)23-14(15)12(19)9-17/h12,14,17,19-20H,2-10H2,1H3
InChIKeyLVDMXSDQQPWXIC-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.37
Rot. Bonds12

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

2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one (PubChem CID 14843445) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one
PubChem CID14843445
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one
SMILESCCCCCCCCC(=O)COC1=C(O)C(=O)OC1C(O)CO
InChIInChI=1S/C16H26O7/c1-2-3-4-5-6-7-8-11(18)10-22-15-13(20)16(21)23-14(15)12(19)9-17/h12,14,17,19-20H,2-10H2,1H3
InChIKeyLVDMXSDQQPWXIC-UHFFFAOYSA-N
XLogP1.37
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one (CID 14843445) is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one is CCCCCCCCC(=O)COC1=C(O)C(=O)OC1C(O)CO.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one?
The InChIKey is LVDMXSDQQPWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O7/c1-2-3-4-5-6-7-8-11(18)10-22-15-13(20)16(21)23-14(15)12(19)9-17/h12,14,17,19-20H,2-10H2,1H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one has a molecular weight of 330.38 g/mol, XLogP of 1.37, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-(2-oxodecoxy)-2H-furan-5-one is sourced from PubChem (CID 14843445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).