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

C16H28O3 — CID 102346040

IUPAC4-(1-hydroxydodecyl)-2H-furan-5-one
SMILESCCCCCCCCCCCC(O)C1=CCOC1=O
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-15(17)14-12-13-19-16(14)18/h12,15,17H,2-11,13H2,1H3
InChIKeyGVLMKAFQCJZPJC-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.75
Rot. Bonds11

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

4-(1-hydroxydodecyl)-2H-furan-5-one (PubChem CID 102346040) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(1-hydroxydodecyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(1-hydroxydodecyl)-2H-furan-5-one
PubChem CID102346040
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name4-(1-hydroxydodecyl)-2H-furan-5-one
SMILESCCCCCCCCCCCC(O)C1=CCOC1=O
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-15(17)14-12-13-19-16(14)18/h12,15,17H,2-11,13H2,1H3
InChIKeyGVLMKAFQCJZPJC-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.75
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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Related Compounds

4-(1-hydroxytridecyl)-2H-furan-5-one
CID 15170115
(2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one
CID 122661318
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
4-[(8S,9S,13S)-2,8,9,13-tetrahydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
CID 10054279
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(furan-2-yl)decan-1-ol
CID 11085452
(2R)-4-[(1R,13R)-1,13-dihydroxy-13-[(2S,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 163187228
(2R)-4-[(1R,13R)-1,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 162993005
(3S)-3-[(1R)-1-hydroxyhexadecyl]oxolan-2-one
CID 11034763
3-(1-hydroxytridecyl)-2-methyl-2H-furan-5-one
CID 19385051
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxydodecyl)-2H-furan-5-one?
The IUPAC name of 4-(1-hydroxydodecyl)-2H-furan-5-one (CID 102346040) is 4-(1-hydroxydodecyl)-2H-furan-5-one.
What is the SMILES notation for 4-(1-hydroxydodecyl)-2H-furan-5-one?
The canonical SMILES for 4-(1-hydroxydodecyl)-2H-furan-5-one is CCCCCCCCCCCC(O)C1=CCOC1=O.
What is the InChIKey of 4-(1-hydroxydodecyl)-2H-furan-5-one?
The InChIKey is GVLMKAFQCJZPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-15(17)14-12-13-19-16(14)18/h12,15,17H,2-11,13H2,1H3.
What are the key properties of 4-(1-hydroxydodecyl)-2H-furan-5-one?
4-(1-hydroxydodecyl)-2H-furan-5-one has a molecular weight of 268.40 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxydodecyl)-2H-furan-5-one is sourced from PubChem (CID 102346040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).