3-methyl-5-(octoxymethyl)furan-2-carboxylic acid

C15H24O4 — CID 43620815

IUPAC3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
SMILESCCCCCCCCOCc1cc(C)c(C(=O)O)o1
InChIInChI=1S/C15H24O4/c1-3-4-5-6-7-8-9-18-11-13-10-12(2)14(19-13)15(16)17/h10H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyFRNOIYIQZRKBSU-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.16
Rot. Bonds10

About 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid

3-methyl-5-(octoxymethyl)furan-2-carboxylic acid (PubChem CID 43620815) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
PubChem CID43620815
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
SMILESCCCCCCCCOCc1cc(C)c(C(=O)O)o1
InChIInChI=1S/C15H24O4/c1-3-4-5-6-7-8-9-18-11-13-10-12(2)14(19-13)15(16)17/h10H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyFRNOIYIQZRKBSU-UHFFFAOYSA-N
XLogP4.16
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-(but-3-enoxymethyl)-3-methylfuran-2-carboxylic acid
CID 43620826
3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-carboxylic acid
CID 106446601
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
5-(hexoxymethyl)furan-3-carboxylic acid
CID 62269922
5-methyl-4-(pentoxymethyl)furan-2-carboxylic acid
CID 62275146
2-[[5-(decoxymethyl)furan-2-yl]methyl]propanedioic acid
CID 168891155
3-(heptoxymethyl)furan-2-carboxylic acid
CID 43153152
5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide
CID 63588542
3-methyl-5-(octoxymethyl)-1,2-oxazole
CID 13460560
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
2-methyl-5-(octoxymethyl)furan
CID 21314380

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid (CID 43620815) is 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid is CCCCCCCCOCc1cc(C)c(C(=O)O)o1.
What is the InChIKey of 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid?
The InChIKey is FRNOIYIQZRKBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-4-5-6-7-8-9-18-11-13-10-12(2)14(19-13)15(16)17/h10H,3-9,11H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid?
3-methyl-5-(octoxymethyl)furan-2-carboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(octoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43620815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).