8-(furan-2-yl)octanoic acid

C12H18O3 — CID 11790484

IUPAC8-(furan-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1ccco1
InChIInChI=1S/C12H18O3/c13-12(14)9-5-3-1-2-4-7-11-8-6-10-15-11/h6,8,10H,1-5,7,9H2,(H,13,14)
InChIKeySXQRVQKQTIWUKR-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.25
Rot. Bonds8

About 8-(furan-2-yl)octanoic acid

8-(furan-2-yl)octanoic acid (PubChem CID 11790484) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 8-(furan-2-yl)octanoic acid.

Molecular Properties

Compound Name8-(furan-2-yl)octanoic acid
PubChem CID11790484
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name8-(furan-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1ccco1
InChIInChI=1S/C12H18O3/c13-12(14)9-5-3-1-2-4-7-11-8-6-10-15-11/h6,8,10H,1-5,7,9H2,(H,13,14)
InChIKeySXQRVQKQTIWUKR-UHFFFAOYSA-N
XLogP3.25
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pentylfuran
CID 19602
2-Ethylfuran
CID 18554
2-Butylfuran
CID 20534
2-Heptylfuran
CID 19603
2-Furyl pentyl ketone
CID 61738
Furfuryl methyl ketone
CID 228583
2-Propylfuran
CID 77907
Ethyl 2-furanpropionate
CID 61450
2-Butyrylfuran
CID 228588
2-Pentanoylfuran
CID 231325
Avocadenofuran
CID 6857792
Isobutyl-2-furanpropionate
CID 7733

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)octanoic acid?
The IUPAC name of 8-(furan-2-yl)octanoic acid (CID 11790484) is 8-(furan-2-yl)octanoic acid.
What is the SMILES notation for 8-(furan-2-yl)octanoic acid?
The canonical SMILES for 8-(furan-2-yl)octanoic acid is O=C(O)CCCCCCCc1ccco1.
What is the InChIKey of 8-(furan-2-yl)octanoic acid?
The InChIKey is SXQRVQKQTIWUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-12(14)9-5-3-1-2-4-7-11-8-6-10-15-11/h6,8,10H,1-5,7,9H2,(H,13,14).
What are the key properties of 8-(furan-2-yl)octanoic acid?
8-(furan-2-yl)octanoic acid has a molecular weight of 210.27 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)octanoic acid is sourced from PubChem (CID 11790484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).