(Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol

C20H41NO4 — CID 6442130

IUPAC(Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol
SMILESCCCCCC/C=C\CCCCCCCC(=O)O.OCCNCCO
InChIInChI=1S/C16H30O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;6-3-1-5-2-4-7/h7-8H,2-6,9-15H2,1H3,(H,17,18);5-7H,1-4H2/b8-7-;
InChIKeyWMTVNSRGDKFVBA-CFYXSCKTSA-N
MW359.55 g/mol
LogP3.89
Rot. Bonds17

About (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol

(Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol (PubChem CID 6442130) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name(Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol
PubChem CID6442130
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC Name(Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol
SMILESCCCCCC/C=C\CCCCCCCC(=O)O.OCCNCCO
InChIInChI=1S/C16H30O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;6-3-1-5-2-4-7/h7-8H,2-6,9-15H2,1H3,(H,17,18);5-7H,1-4H2/b8-7-;
InChIKeyWMTVNSRGDKFVBA-CFYXSCKTSA-N
XLogP3.89
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 53.89
H-Bond Donors ≤ 54
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

Monoethanolamine Oleate
CID 5282489
9-Octadecenoic acid (9Z)-, compd. with N-butyl-1-butanamine (1:1)
CID 5354265
Diethanolamine oleate
CID 6433588
Triethanolamine Oleate
CID 6433344
9-Octadecenoic acid (9Z)-, compd. with N1-(2-aminoethyl)-1,2-ethanediamine (1:?)
CID 6441410
Morpholine oleate
CID 20838052
Diethanolammonium linoleate
CID 6441885
9-Octadecenoic acid (9Z)-, compd. with N-ethylethanamine (1:1)
CID 6441406
9-Octadecenoic acid (9Z)-, compd. with 1,1'-iminobis(2-propanol) (1:1)
CID 6441596
9-Octadecenoic acid (9Z)-, compd. with 2-(diethylamino)ethanol (1:1)
CID 6441727
9-Octadecenoic acid (9Z)-, reaction products with 2-[(2-aminoethyl)amino]ethanol
CID 6441827
9-Octadecenoic acid (9Z)-, reaction products with triethylenetetramine
CID 6455972

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol (CID 6442130) is (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol is CCCCCC/C=C\CCCCCCCC(=O)O.OCCNCCO.
What is the InChIKey of (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol?
The InChIKey is WMTVNSRGDKFVBA-CFYXSCKTSA-N. The full InChI is InChI=1S/C16H30O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;6-3-1-5-2-4-7/h7-8H,2-6,9-15H2,1H3,(H,17,18);5-7H,1-4H2/b8-7-;.
What are the key properties of (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol?
(Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol has a molecular weight of 359.55 g/mol, XLogP of 3.89, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-9-enoic acid;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 6442130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).