(4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid

C20H30O2 — CID 5282846

IUPAC(4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid
SMILESC/C=C/C/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-3,5-6,8-9,12-13,16-17H,4,7,10-11,14-15,18-19H2,1H3,(H,21,22)/b3-2+,6-5+,9-8+,13-12+,17-16+
InChIKeyMVAGWEQBBLEOBC-YMXLJGMHSA-N
MW302.46 g/mol
LogP5.99
Rot. Bonds13

About (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid

(4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid (PubChem CID 5282846) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid.

Molecular Properties

Compound Name(4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid
PubChem CID5282846
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid
SMILESC/C=C/C/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-3,5-6,8-9,12-13,16-17H,4,7,10-11,14-15,18-19H2,1H3,(H,21,22)/b3-2+,6-5+,9-8+,13-12+,17-16+
InChIKeyMVAGWEQBBLEOBC-YMXLJGMHSA-N
XLogP5.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid?
The IUPAC name of (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid (CID 5282846) is (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid.
What is the SMILES notation for (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid?
The canonical SMILES for (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid is C/C=C/C/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O.
What is the InChIKey of (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid?
The InChIKey is MVAGWEQBBLEOBC-YMXLJGMHSA-N. The full InChI is InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-3,5-6,8-9,12-13,16-17H,4,7,10-11,14-15,18-19H2,1H3,(H,21,22)/b3-2+,6-5+,9-8+,13-12+,17-16+.
What are the key properties of (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid?
(4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid has a molecular weight of 302.46 g/mol, XLogP of 5.99, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E,15E,18E)-icosa-4,8,12,15,18-pentaenoic acid is sourced from PubChem (CID 5282846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).