(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid

C21H32O2 — CID 10041487

IUPAC(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)O
InChIInChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h4-5,7-8,10-11,13-14,16-17,20H,3,6,9,12,15,18-19H2,1-2H3,(H,22,23)/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyBUKFSVVYYMDFME-JEBPEJKESA-N
MW316.49 g/mol
LogP6.24
Rot. Bonds13

About (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid

(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid (PubChem CID 10041487) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
PubChem CID10041487
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)O
InChIInChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h4-5,7-8,10-11,13-14,16-17,20H,3,6,9,12,15,18-19H2,1-2H3,(H,22,23)/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyBUKFSVVYYMDFME-JEBPEJKESA-N
XLogP6.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid with MolForge

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Related Compounds

(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480
2-methanethioylicosa-5,8,11,14,17-pentaenoic acid
CID 123778500
2-methyldocosa-7,10,13,16-tetraenoic acid
CID 173392719
2-(chloromethyl)icosa-5,8,11,14,17-pentaenoic acid
CID 54255147
2-aminoethanol;(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoic acid
CID 174595895
(E,2R)-2-methylhept-5-enoic acid
CID 100977914
(Z)-N,N,2-trimethyloct-5-enamide
CID 150696751
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid (CID 10041487) is (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid?
The InChIKey is BUKFSVVYYMDFME-JEBPEJKESA-N. The full InChI is InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h4-5,7-8,10-11,13-14,16-17,20H,3,6,9,12,15,18-19H2,1-2H3,(H,22,23)/b5-4-,8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid?
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid has a molecular weight of 316.49 g/mol, XLogP of 6.24, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid is sourced from PubChem (CID 10041487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).