sodium (Z)-2-hydroxyicos-11-enoate

C20H37NaO3 — CID 141048065

IUPACsodium (Z)-2-hydroxyicos-11-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)C(=O)[O-].[Na+]
InChIInChI=1S/C20H38O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23;/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23);/q;+1/p-1/b10-9-;
InChIKeyIURFZVAMACGBEL-KVVVOXFISA-M
MW348.50 g/mol
LogP1.53
Rot. Bonds17

About sodium (Z)-2-hydroxyicos-11-enoate

sodium (Z)-2-hydroxyicos-11-enoate (PubChem CID 141048065) has the molecular formula C20H37NaO3 and a molecular weight of 348.50 g/mol. Its IUPAC name is sodium (Z)-2-hydroxyicos-11-enoate.

Molecular Properties

Compound Namesodium (Z)-2-hydroxyicos-11-enoate
PubChem CID141048065
Molecular FormulaC20H37NaO3
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Namesodium (Z)-2-hydroxyicos-11-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)C(=O)[O-].[Na+]
InChIInChI=1S/C20H38O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23;/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23);/q;+1/p-1/b10-9-;
InChIKeyIURFZVAMACGBEL-KVVVOXFISA-M
XLogP1.53
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(12Z,15Z,18Z,21Z,24Z)-2-hydroxytriaconta-12,15,18,21,24-pentaenoate
CID 86583452
(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxydocosanoate
CID 22361325
azanium 2-hydroxydodecanoate
CID 139935066
zinc bis(2-hydroxyhexadecanoate)
CID 159204851
strontium bis(2-hydroxytetradecanoate)
CID 19990057
(2R)-2-hydroxyheptanoate
CID 7054559
sodium (Z)-2-hexadecyloctadec-9-enoate
CID 174999007
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(E)-2-hydroxydocos-13-enoic acid
CID 18923931

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-2-hydroxyicos-11-enoate?
The IUPAC name of sodium (Z)-2-hydroxyicos-11-enoate (CID 141048065) is sodium (Z)-2-hydroxyicos-11-enoate.
What is the SMILES notation for sodium (Z)-2-hydroxyicos-11-enoate?
The canonical SMILES for sodium (Z)-2-hydroxyicos-11-enoate is CCCCCCCC/C=C\CCCCCCCCC(O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (Z)-2-hydroxyicos-11-enoate?
The InChIKey is IURFZVAMACGBEL-KVVVOXFISA-M. The full InChI is InChI=1S/C20H38O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23;/h9-10,19,21H,2-8,11-18H2,1H3,(H,22,23);/q;+1/p-1/b10-9-;.
What are the key properties of sodium (Z)-2-hydroxyicos-11-enoate?
sodium (Z)-2-hydroxyicos-11-enoate has a molecular weight of 348.50 g/mol, XLogP of 1.53, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-2-hydroxyicos-11-enoate is sourced from PubChem (CID 141048065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).