(7R)-18-morpholin-4-yloctadec-9-en-7-ol

C22H43NO2 — CID 154282910

IUPAC(7R)-18-morpholin-4-yloctadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H43NO2/c1-2-3-4-12-15-22(24)16-13-10-8-6-5-7-9-11-14-17-23-18-20-25-21-19-23/h10,13,22,24H,2-9,11-12,14-21H2,1H3/t22-/m1/s1
InChIKeyDELGOLMWOFSGFH-JOCHJYFZSA-N
MW353.59 g/mol
LogP5.33
Rot. Bonds16

About (7R)-18-morpholin-4-yloctadec-9-en-7-ol

(7R)-18-morpholin-4-yloctadec-9-en-7-ol (PubChem CID 154282910) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is (7R)-18-morpholin-4-yloctadec-9-en-7-ol.

Molecular Properties

Compound Name(7R)-18-morpholin-4-yloctadec-9-en-7-ol
PubChem CID154282910
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name(7R)-18-morpholin-4-yloctadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H43NO2/c1-2-3-4-12-15-22(24)16-13-10-8-6-5-7-9-11-14-17-23-18-20-25-21-19-23/h10,13,22,24H,2-9,11-12,14-21H2,1H3/t22-/m1/s1
InChIKeyDELGOLMWOFSGFH-JOCHJYFZSA-N
XLogP5.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 55.33
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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Frequently Asked Questions

What is the IUPAC name of (7R)-18-morpholin-4-yloctadec-9-en-7-ol?
The IUPAC name of (7R)-18-morpholin-4-yloctadec-9-en-7-ol (CID 154282910) is (7R)-18-morpholin-4-yloctadec-9-en-7-ol.
What is the SMILES notation for (7R)-18-morpholin-4-yloctadec-9-en-7-ol?
The canonical SMILES for (7R)-18-morpholin-4-yloctadec-9-en-7-ol is CCCCCC[C@@H](O)CC=CCCCCCCCCN1CCOCC1.
What is the InChIKey of (7R)-18-morpholin-4-yloctadec-9-en-7-ol?
The InChIKey is DELGOLMWOFSGFH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H43NO2/c1-2-3-4-12-15-22(24)16-13-10-8-6-5-7-9-11-14-17-23-18-20-25-21-19-23/h10,13,22,24H,2-9,11-12,14-21H2,1H3/t22-/m1/s1.
What are the key properties of (7R)-18-morpholin-4-yloctadec-9-en-7-ol?
(7R)-18-morpholin-4-yloctadec-9-en-7-ol has a molecular weight of 353.59 g/mol, XLogP of 5.33, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-18-morpholin-4-yloctadec-9-en-7-ol is sourced from PubChem (CID 154282910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).