(Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine

C22H43NO4 — CID 6437429

IUPAC(Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine
SMILESC1COCCN1.CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O3.C4H9NO/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-6-4-2-5-1/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);5H,1-4H2/b12-9-;/t17-;/m1./s1
InChIKeyGLMCOBSUGSPCHB-DPMBMXLASA-N
MW385.59 g/mol
LogP4.69
Rot. Bonds15

About (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine

(Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine (PubChem CID 6437429) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine.

Molecular Properties

Compound Name(Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine
PubChem CID6437429
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC Name(Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine
SMILESC1COCCN1.CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O3.C4H9NO/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-6-4-2-5-1/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);5H,1-4H2/b12-9-;/t17-;/m1./s1
InChIKeyGLMCOBSUGSPCHB-DPMBMXLASA-N
XLogP4.69
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Diethanolamine oleate
CID 6433588
Morpholine oleate
CID 20838052
Diethanolammonium linoleate
CID 6441885
9-Octadecenoic acid (9Z)-, compd. with 1,1'-iminobis(2-propanol) (1:1)
CID 6441596
9-Octadecenoic acid (9Z)-, 2-[(2-hydroxyethyl)amino]ethyl ester
CID 6436847
9-Octadecenoic acid (9Z)-, 1,1',1''-(1,2,3-propanetriyl) ester, sulfated, compds. with diethanolamine
CID 133065513
9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, compd. with 2-aminoethanol (1:1)
CID 6436492
2-(2-Hydroxyethylamino)ethanol;octadec-9-enoic acid
CID 26355
9-Hexadecenoic acid, (9Z)-, compd. with 2,2'-iminobis[ethanol] (1:1)
CID 6442130
morpholin-4-ium;(Z)-octadec-9-enoate
CID 67914101
Bis(2-hydroxyethyl) ammonium oleate
CID 168301979
Bis(2-hydroxyethyl)ammonium erucate
CID 177866746

Frequently Asked Questions

What is the IUPAC name of (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine?
The IUPAC name of (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine (CID 6437429) is (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine.
What is the SMILES notation for (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine?
The canonical SMILES for (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine is C1COCCN1.CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine?
The InChIKey is GLMCOBSUGSPCHB-DPMBMXLASA-N. The full InChI is InChI=1S/C18H34O3.C4H9NO/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-6-4-2-5-1/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);5H,1-4H2/b12-9-;/t17-;/m1./s1.
What are the key properties of (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine?
(Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine has a molecular weight of 385.59 g/mol, XLogP of 4.69, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,12R)-12-hydroxyoctadec-9-enoic acid;morpholine is sourced from PubChem (CID 6437429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).