9-(furan-2-yl)non-8-enoic acid

C13H18O3 — CID 54107974

IUPAC9-(furan-2-yl)non-8-enoic acid
SMILESO=C(O)CCCCCCC=Cc1ccco1
InChIInChI=1S/C13H18O3/c14-13(15)10-6-4-2-1-3-5-8-12-9-7-11-16-12/h5,7-9,11H,1-4,6,10H2,(H,14,15)
InChIKeyNFCLAMSTKZYMKY-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.72
Rot. Bonds8

About 9-(furan-2-yl)non-8-enoic acid

9-(furan-2-yl)non-8-enoic acid (PubChem CID 54107974) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 9-(furan-2-yl)non-8-enoic acid.

Molecular Properties

Compound Name9-(furan-2-yl)non-8-enoic acid
PubChem CID54107974
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name9-(furan-2-yl)non-8-enoic acid
SMILESO=C(O)CCCCCCC=Cc1ccco1
InChIInChI=1S/C13H18O3/c14-13(15)10-6-4-2-1-3-5-8-12-9-7-11-16-12/h5,7-9,11H,1-4,6,10H2,(H,14,15)
InChIKeyNFCLAMSTKZYMKY-UHFFFAOYSA-N
XLogP3.72
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.72
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

methyl (E)-9-(furan-2-yl)non-8-enoate
CID 11322314
(E,4Z)-4-(furan-2-ylmethylidene)docos-13-enoic acid
CID 59928970
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
12-(furan-2-yl)dodec-9-en-11-ynoic acid
CID 123610734
(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
CID 58721548
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
tetradec-6-enedioic acid
CID 151545129
3-(furan-2-yl)-2-methylprop-2-enal;heptanoic acid
CID 174912705
7-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]heptanoic acid
CID 175559743

Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-yl)non-8-enoic acid?
The IUPAC name of 9-(furan-2-yl)non-8-enoic acid (CID 54107974) is 9-(furan-2-yl)non-8-enoic acid.
What is the SMILES notation for 9-(furan-2-yl)non-8-enoic acid?
The canonical SMILES for 9-(furan-2-yl)non-8-enoic acid is O=C(O)CCCCCCC=Cc1ccco1.
What is the InChIKey of 9-(furan-2-yl)non-8-enoic acid?
The InChIKey is NFCLAMSTKZYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-13(15)10-6-4-2-1-3-5-8-12-9-7-11-16-12/h5,7-9,11H,1-4,6,10H2,(H,14,15).
What are the key properties of 9-(furan-2-yl)non-8-enoic acid?
9-(furan-2-yl)non-8-enoic acid has a molecular weight of 222.28 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-yl)non-8-enoic acid is sourced from PubChem (CID 54107974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).