3-ethyloctan-3-yl furan-2-carboxylate

C15H24O3 — CID 141389784

IUPAC3-ethyloctan-3-yl furan-2-carboxylate
SMILESCCCCCC(CC)(CC)OC(=O)c1ccco1
InChIInChI=1S/C15H24O3/c1-4-7-8-11-15(5-2,6-3)18-14(16)13-10-9-12-17-13/h9-10,12H,4-8,11H2,1-3H3
InChIKeyAPIBQOAZTJQKQQ-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.58
Rot. Bonds8

About 3-ethyloctan-3-yl furan-2-carboxylate

3-ethyloctan-3-yl furan-2-carboxylate (PubChem CID 141389784) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-ethyloctan-3-yl furan-2-carboxylate.

Molecular Properties

Compound Name3-ethyloctan-3-yl furan-2-carboxylate
PubChem CID141389784
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-ethyloctan-3-yl furan-2-carboxylate
SMILESCCCCCC(CC)(CC)OC(=O)c1ccco1
InChIInChI=1S/C15H24O3/c1-4-7-8-11-15(5-2,6-3)18-14(16)13-10-9-12-17-13/h9-10,12H,4-8,11H2,1-3H3
InChIKeyAPIBQOAZTJQKQQ-UHFFFAOYSA-N
XLogP4.58
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyloctan-3-yl furan-2-carboxylate 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

bis(3-ethyloctan-3-yl) benzene-1,3-dicarboxylate
CID 134246919
1-chloropentyl furan-2-carboxylate
CID 174368283
furan-2-carboxylic acid;hexane
CID 157215891
bis(5-butyldecan-5-yl) benzene-1,2-dicarboxylate
CID 70543205
1-(furan-2-yl)undecan-1-one
CID 15721327
(4-pentoxycarbonylphenyl) furan-2-carboxylate
CID 4024442
2-(9-hexyloctadecan-9-yloxycarbonyl)benzoic acid
CID 141231360
3-ethyloctan-3-yl butanoate
CID 154020166
2-(5-butylhexadecan-5-yloxycarbonyl)benzoic acid
CID 54297089
3-ethyloctan-3-yl 2-sulfanylacetate
CID 57294027
methane;propan-2-yl furan-2-carboxylate
CID 157166715
3-ethyloctan-3-yl hexadecanoate
CID 141194185

Frequently Asked Questions

What is the IUPAC name of 3-ethyloctan-3-yl furan-2-carboxylate?
The IUPAC name of 3-ethyloctan-3-yl furan-2-carboxylate (CID 141389784) is 3-ethyloctan-3-yl furan-2-carboxylate.
What is the SMILES notation for 3-ethyloctan-3-yl furan-2-carboxylate?
The canonical SMILES for 3-ethyloctan-3-yl furan-2-carboxylate is CCCCCC(CC)(CC)OC(=O)c1ccco1.
What is the InChIKey of 3-ethyloctan-3-yl furan-2-carboxylate?
The InChIKey is APIBQOAZTJQKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-7-8-11-15(5-2,6-3)18-14(16)13-10-9-12-17-13/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 3-ethyloctan-3-yl furan-2-carboxylate?
3-ethyloctan-3-yl furan-2-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloctan-3-yl furan-2-carboxylate is sourced from PubChem (CID 141389784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).