(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid

C21H38O3 — CID 18981404

IUPAC(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid
SMILESCC(CCCCC/C=C/C/C=C/CCCCCCO)CCC(=O)O
InChIInChI=1S/C21H38O3/c1-20(17-18-21(23)24)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-22/h3-6,20,22H,2,7-19H2,1H3,(H,23,24)/b5-3+,6-4+
InChIKeyMFYROWCABLBAMA-GGWOSOGESA-N
MW338.53 g/mol
LogP5.88
Rot. Bonds17

About (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid

(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid (PubChem CID 18981404) has the molecular formula C21H38O3 and a molecular weight of 338.53 g/mol. Its IUPAC name is (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid.

Molecular Properties

Compound Name(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid
PubChem CID18981404
Molecular FormulaC21H38O3
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Name(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid
SMILESCC(CCCCC/C=C/C/C=C/CCCCCCO)CCC(=O)O
InChIInChI=1S/C21H38O3/c1-20(17-18-21(23)24)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-22/h3-6,20,22H,2,7-19H2,1H3,(H,23,24)/b5-3+,6-4+
InChIKeyMFYROWCABLBAMA-GGWOSOGESA-N
XLogP5.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-hydroxy-4-methylhexadeca-8,11-dienoic acid
CID 54532471
(9Z,12Z,15Z)-4-methyloctadeca-9,12,15-trienoic acid
CID 174445218
(13E,16E)-4-butyl-26-hydroxyhexacosa-13,16-dienoic acid
CID 18981419
22-hydroxy-4-propyldocosa-11,14-dienoic acid
CID 54529033
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(5Z,9Z,12Z,15Z,18Z,21Z,34S)-34-methylhexatriaconta-5,9,12,15,18,21-hexaenoic acid
CID 52921771
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
(Z)-19-methyltricos-9-enoic acid
CID 170905210
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471

Frequently Asked Questions

What is the IUPAC name of (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid?
The IUPAC name of (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid (CID 18981404) is (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid.
What is the SMILES notation for (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid?
The canonical SMILES for (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid is CC(CCCCC/C=C/C/C=C/CCCCCCO)CCC(=O)O.
What is the InChIKey of (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid?
The InChIKey is MFYROWCABLBAMA-GGWOSOGESA-N. The full InChI is InChI=1S/C21H38O3/c1-20(17-18-21(23)24)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-22/h3-6,20,22H,2,7-19H2,1H3,(H,23,24)/b5-3+,6-4+.
What are the key properties of (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid?
(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid has a molecular weight of 338.53 g/mol, XLogP of 5.88, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid is sourced from PubChem (CID 18981404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).