hexadeca-4,7,10,13-tetraenoic acid

C16H24O2 — CID 71358585

IUPAChexadeca-4,7,10,13-tetraenoic acid
SMILESCCC=CCC=CCC=CCC=CCCC(=O)O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18)
InChIKeyIVTCJQZAGWTMBZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.66
Rot. Bonds10

About hexadeca-4,7,10,13-tetraenoic acid

hexadeca-4,7,10,13-tetraenoic acid (PubChem CID 71358585) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is hexadeca-4,7,10,13-tetraenoic acid.

Molecular Properties

Compound Namehexadeca-4,7,10,13-tetraenoic acid
PubChem CID71358585
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Namehexadeca-4,7,10,13-tetraenoic acid
SMILESCCC=CCC=CCC=CCC=CCCC(=O)O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18)
InChIKeyIVTCJQZAGWTMBZ-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 hexadeca-4,7,10,13-tetraenoic acid?
The IUPAC name of hexadeca-4,7,10,13-tetraenoic acid (CID 71358585) is hexadeca-4,7,10,13-tetraenoic acid.
What is the SMILES notation for hexadeca-4,7,10,13-tetraenoic acid?
The canonical SMILES for hexadeca-4,7,10,13-tetraenoic acid is CCC=CCC=CCC=CCC=CCCC(=O)O.
What is the InChIKey of hexadeca-4,7,10,13-tetraenoic acid?
The InChIKey is IVTCJQZAGWTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18).
What are the key properties of hexadeca-4,7,10,13-tetraenoic acid?
hexadeca-4,7,10,13-tetraenoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-4,7,10,13-tetraenoic acid is sourced from PubChem (CID 71358585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).