(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid

C20H38O3 — CID 141002833

IUPAC(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)O)C(C)O
InChIInChI=1S/C20H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)21)20(22)23/h10-11,18-19,21H,3-9,12-17H2,1-2H3,(H,22,23)/b11-10-
InChIKeyOGWRKFUSNARACN-KHPPLWFESA-N
MW326.52 g/mol
LogP5.72
Rot. Bonds16

About (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid

(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid (PubChem CID 141002833) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid
PubChem CID141002833
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)O)C(C)O
InChIInChI=1S/C20H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)21)20(22)23/h10-11,18-19,21H,3-9,12-17H2,1-2H3,(H,22,23)/b11-10-
InChIKeyOGWRKFUSNARACN-KHPPLWFESA-N
XLogP5.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.72
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

2-(1-hydroxyethyl)nonanoic acid
CID 87790479
(E)-2-propan-2-yloctadec-9-enoic acid
CID 21159543
(Z)-2-dodecan-2-yloctadec-9-enoic acid
CID 175593918
(Z)-2-docosyl-3-hydroxynonatriacont-18-enoic acid
CID 138454181
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234
2-hexadec-7-enylpropanedioic acid
CID 173063889
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289
(9Z,12Z)-2-(dihydroxymethyl)octadeca-9,12-dienoic acid
CID 141316227
(9E,12E)-2-propan-2-yloctadeca-9,12-dienoic acid
CID 23175818
2-[(7Z,10Z)-hexadeca-7,10-dienyl]-3-(6-methylheptyl)butanedioic acid
CID 177312923
(Z,2R)-2-[(1S)-1-hydroxyprop-2-ynyl]hexadec-9-enoic acid
CID 135593155
(Z,2S,5R)-2-[(1S)-1-hydroxyethyl]-5-(methylaminomethyl)hexadec-9-enoic acid
CID 162830701

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid?
The IUPAC name of (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid (CID 141002833) is (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid.
What is the SMILES notation for (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid?
The canonical SMILES for (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCC(C(=O)O)C(C)O.
What is the InChIKey of (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid?
The InChIKey is OGWRKFUSNARACN-KHPPLWFESA-N. The full InChI is InChI=1S/C20H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)21)20(22)23/h10-11,18-19,21H,3-9,12-17H2,1-2H3,(H,22,23)/b11-10-.
What are the key properties of (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid?
(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid has a molecular weight of 326.52 g/mol, XLogP of 5.72, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-hydroxyethyl)octadec-9-enoic acid is sourced from PubChem (CID 141002833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).