(2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid

C15H24O4 — CID 118012593

IUPAC(2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid
SMILESCCCCCCCCC[C@H]1OC(=O)C(C)=C1C(=O)O
InChIInChI=1S/C15H24O4/c1-3-4-5-6-7-8-9-10-12-13(14(16)17)11(2)15(18)19-12/h12H,3-10H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyFXQGGQUWZHGTKD-GFCCVEGCSA-N
MW268.35 g/mol
LogP3.45
Rot. Bonds9

About (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid

(2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid (PubChem CID 118012593) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid
PubChem CID118012593
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid
SMILESCCCCCCCCC[C@H]1OC(=O)C(C)=C1C(=O)O
InChIInChI=1S/C15H24O4/c1-3-4-5-6-7-8-9-10-12-13(14(16)17)11(2)15(18)19-12/h12H,3-10H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyFXQGGQUWZHGTKD-GFCCVEGCSA-N
XLogP3.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.45
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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Launch Full Analysis

Related Compounds

4-Methyl-5-oxo-2-tridecyl-2,5-dihydrofuran-3-carboxylic acid
CID 89841
(5R)-3-Hexadecanoyl-4-hydroxy-5-(hydroxymethyl)furan-2(5H)-one
CID 54678922
4-hexadecanoyl-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
CID 54685915
(4-hexadecanoyl-3-hydroxy-5-oxo-2H-furan-2-yl)methyl acetate
CID 70240311
(R)-2-Tridecyl-2,5-dihydro-4-methyl-5-oxo-3-furoic acid
CID 21116528
4-methyl-5-oxo-2-tridecyl-2H-furan-3-carboxylic acid
CID 9927283
4-hexadecanoyl-3-hydroxy-2-(hydroxymethyl)-2H-uran-5-one
CID 54690140
Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 304403
Pseudopyronine A
CID 54715089
[(9R,10E,11aS)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate
CID 13895746
Striatisporolide A
CID 45359437
7-Oxabicyclo(2.2.1)hept-2-ene-2,3-dicarboxylic acid
CID 167844

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid?
The IUPAC name of (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid (CID 118012593) is (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid.
What is the SMILES notation for (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid?
The canonical SMILES for (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid is CCCCCCCCC[C@H]1OC(=O)C(C)=C1C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid?
The InChIKey is FXQGGQUWZHGTKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-4-5-6-7-8-9-10-12-13(14(16)17)11(2)15(18)19-12/h12H,3-10H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid?
(2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-nonyl-5-oxo-2H-furan-3-carboxylic acid is sourced from PubChem (CID 118012593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).