(2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one

C14H24O3 — CID 122661318

IUPAC(2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one
SMILESCCCCCCCC[C@@H](O)C1=C[C@@H](C)OC1=O
InChIInChI=1S/C14H24O3/c1-3-4-5-6-7-8-9-13(15)12-10-11(2)17-14(12)16/h10-11,13,15H,3-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyRJVWLKNDRCJCJW-DGCLKSJQSA-N
MW240.34 g/mol
LogP2.97
Rot. Bonds8

About (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one

(2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one (PubChem CID 122661318) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one
PubChem CID122661318
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one
SMILESCCCCCCCC[C@@H](O)C1=C[C@@H](C)OC1=O
InChIInChI=1S/C14H24O3/c1-3-4-5-6-7-8-9-13(15)12-10-11(2)17-14(12)16/h10-11,13,15H,3-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyRJVWLKNDRCJCJW-DGCLKSJQSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.97
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-hydroxybutyl)-2-methyl-2H-furan-5-one
CID 130123309
(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
2-methyl-4-[(10Z,14Z)-1,7,18,19-tetrahydroxyhentriaconta-10,14-dienyl]-2H-furan-5-one
CID 11758176
(2S)-4-[(15R,16R)-15,16-dihydroxydotriacontyl]-2-methyl-2H-furan-5-one
CID 3083512
2-methyl-4-(2,8,15,16-tetrahydroxytriacontyl)-2H-furan-5-one
CID 78384962
4-[(13S,14R,17S,18S)-2,8,13,14,17,18-hexahydroxytriacontyl]-2-methyl-2H-furan-5-one
CID 100927505
(2S)-4-[(2R,7S,13R,14S,17R,18S)-2,7,13,14,17,18-hexahydroxytriacontyl]-2-methyl-2H-furan-5-one
CID 162986369
(2S)-4-[(2S,8S,13R,14R,17S,18R)-2,8,13,14,17,18-hexahydroxytriacontyl]-2-methyl-2H-furan-5-one
CID 154497055
(2R)-4-heptyl-2-methyl-2H-furan-5-one
CID 10774282
(2S)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 14188599
(2S)-4-[13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 101218919

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one (CID 122661318) is (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one is CCCCCCCC[C@@H](O)C1=C[C@@H](C)OC1=O.
What is the InChIKey of (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one?
The InChIKey is RJVWLKNDRCJCJW-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-4-5-6-7-8-9-13(15)12-10-11(2)17-14(12)16/h10-11,13,15H,3-9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one?
(2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one has a molecular weight of 240.34 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1R)-1-hydroxynonyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 122661318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).