2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid

C20H26O3 — CID 10358283

IUPAC2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\Cc1ccc(CC(=O)O)o1
InChIInChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
InChIKeyASCYUTAWNJPWQT-LTKCOYKYSA-N
MW314.43 g/mol
LogP5.25
Rot. Bonds11

About 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid

2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid (PubChem CID 10358283) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid
PubChem CID10358283
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\Cc1ccc(CC(=O)O)o1
InChIInChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
InChIKeyASCYUTAWNJPWQT-LTKCOYKYSA-N
XLogP5.25
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid (CID 10358283) is 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid is CC/C=C\C/C=C\C/C=C\C/C=C\Cc1ccc(CC(=O)O)o1.
What is the InChIKey of 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid?
The InChIKey is ASCYUTAWNJPWQT-LTKCOYKYSA-N. The full InChI is InChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-.
What are the key properties of 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid?
2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid has a molecular weight of 314.43 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid is sourced from PubChem (CID 10358283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).