(Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol

C22H45NO2 — CID 87099651

IUPAC(Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(CO)NCCO
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-25)23-19-20-24/h9-10,22-25H,2-8,11-21H2,1H3/b10-9-
InChIKeyONQQIEGPEIIHJS-KTKRTIGZSA-N
MW355.61 g/mol
LogP5.36
Rot. Bonds20

About (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol

(Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol (PubChem CID 87099651) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol
PubChem CID87099651
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name(Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(CO)NCCO
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-25)23-19-20-24/h9-10,22-25H,2-8,11-21H2,1H3/b10-9-
InChIKeyONQQIEGPEIIHJS-KTKRTIGZSA-N
XLogP5.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.36
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol?
The IUPAC name of (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol (CID 87099651) is (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol.
What is the SMILES notation for (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol?
The canonical SMILES for (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol is CCCCCCCC/C=C\CCCCCCCCC(CO)NCCO.
What is the InChIKey of (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol?
The InChIKey is ONQQIEGPEIIHJS-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-25)23-19-20-24/h9-10,22-25H,2-8,11-21H2,1H3/b10-9-.
What are the key properties of (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol?
(Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol has a molecular weight of 355.61 g/mol, XLogP of 5.36, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-hydroxyethylamino)icos-11-en-1-ol is sourced from PubChem (CID 87099651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).