(Z)-2-morpholin-4-yloctadec-9-enoic acid

C22H41NO3 — CID 141190731

IUPAC(Z)-2-morpholin-4-yloctadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(22(24)25)23-17-19-26-20-18-23/h9-10,21H,2-8,11-20H2,1H3,(H,24,25)/b10-9-
InChIKeyUVTUNSOQBLNHHE-KTKRTIGZSA-N
MW367.57 g/mol
LogP5.42
Rot. Bonds16

About (Z)-2-morpholin-4-yloctadec-9-enoic acid

(Z)-2-morpholin-4-yloctadec-9-enoic acid (PubChem CID 141190731) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is (Z)-2-morpholin-4-yloctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-2-morpholin-4-yloctadec-9-enoic acid
PubChem CID141190731
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Name(Z)-2-morpholin-4-yloctadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(22(24)25)23-17-19-26-20-18-23/h9-10,21H,2-8,11-20H2,1H3,(H,24,25)/b10-9-
InChIKeyUVTUNSOQBLNHHE-KTKRTIGZSA-N
XLogP5.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.57
LogP ≤ 55.42
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

(2S)-1-[(Z)-octadec-9-enoyl]piperidine-2-carboxylic acid
CID 145970431
4-Methylmorpholine;octadec-9-enoic acid
CID 106612
N-Methylmorpholine oleate
CID 6437233
Octadec-9-enoic acid--4-methylmorpholine (1/1)
CID 138395246
Einecs 303-166-5
CID 44149430
Einecs 306-599-8
CID 44151144
Einecs 301-766-1
CID 44154169
Methyl 1-methyl-6-prop-2-enylpiperidine-2-carboxylate
CID 21363742
1-Carboxynonadec-10-enyl(trimethyl)azanium
CID 54403450
2-(Dimethylamino)icos-11-enoic acid
CID 57202670
ethyl (9Z,12Z,15Z)-2-(ethylamino)octadeca-9,12,15-trienoate
CID 59187760
ethyl (9Z,12Z,15Z)-2-(diethylamino)octadeca-9,12,15-trienoate
CID 59187775

Frequently Asked Questions

What is the IUPAC name of (Z)-2-morpholin-4-yloctadec-9-enoic acid?
The IUPAC name of (Z)-2-morpholin-4-yloctadec-9-enoic acid (CID 141190731) is (Z)-2-morpholin-4-yloctadec-9-enoic acid.
What is the SMILES notation for (Z)-2-morpholin-4-yloctadec-9-enoic acid?
The canonical SMILES for (Z)-2-morpholin-4-yloctadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCC(C(=O)O)N1CCOCC1.
What is the InChIKey of (Z)-2-morpholin-4-yloctadec-9-enoic acid?
The InChIKey is UVTUNSOQBLNHHE-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(22(24)25)23-17-19-26-20-18-23/h9-10,21H,2-8,11-20H2,1H3,(H,24,25)/b10-9-.
What are the key properties of (Z)-2-morpholin-4-yloctadec-9-enoic acid?
(Z)-2-morpholin-4-yloctadec-9-enoic acid has a molecular weight of 367.57 g/mol, XLogP of 5.42, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-morpholin-4-yloctadec-9-enoic acid is sourced from PubChem (CID 141190731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).