(E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol

C22H43NO3 — CID 101275222

IUPAC(E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol
SMILESCCCCC/C=C/CC(O)CN(CCO)CC(O)C/C=C/CCCCC
InChIInChI=1S/C22H43NO3/c1-3-5-7-9-11-13-15-21(25)19-23(17-18-24)20-22(26)16-14-12-10-8-6-4-2/h11-14,21-22,24-26H,3-10,15-20H2,1-2H3/b13-11+,14-12+
InChIKeyIILIANIYQHLEAI-PHEQNACWSA-N
MW369.59 g/mol
LogP4.06
Rot. Bonds18

About (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol

(E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol (PubChem CID 101275222) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol.

Molecular Properties

Compound Name(E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol
PubChem CID101275222
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name(E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol
SMILESCCCCC/C=C/CC(O)CN(CCO)CC(O)C/C=C/CCCCC
InChIInChI=1S/C22H43NO3/c1-3-5-7-9-11-13-15-21(25)19-23(17-18-24)20-22(26)16-14-12-10-8-6-4-2/h11-14,21-22,24-26H,3-10,15-20H2,1-2H3/b13-11+,14-12+
InChIKeyIILIANIYQHLEAI-PHEQNACWSA-N
XLogP4.06
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol?
The IUPAC name of (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol (CID 101275222) is (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol.
What is the SMILES notation for (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol?
The canonical SMILES for (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol is CCCCC/C=C/CC(O)CN(CCO)CC(O)C/C=C/CCCCC.
What is the InChIKey of (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol?
The InChIKey is IILIANIYQHLEAI-PHEQNACWSA-N. The full InChI is InChI=1S/C22H43NO3/c1-3-5-7-9-11-13-15-21(25)19-23(17-18-24)20-22(26)16-14-12-10-8-6-4-2/h11-14,21-22,24-26H,3-10,15-20H2,1-2H3/b13-11+,14-12+.
What are the key properties of (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol?
(E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol has a molecular weight of 369.59 g/mol, XLogP of 4.06, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[[(E)-2-hydroxydec-4-enyl]-(2-hydroxyethyl)amino]dec-4-en-2-ol is sourced from PubChem (CID 101275222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).