2,2-bis(octadec-9-enyl)morpholine;hydrochloride

C40H78ClNO — CID 173193985

IUPAC2,2-bis(octadec-9-enyl)morpholine;hydrochloride
SMILESCCCCCCCCC=CCCCCCCCCC1(CCCCCCCCC=CCCCCCCCC)CNCCO1.Cl
InChIInChI=1S/C40H77NO.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(39-41-37-38-42-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,41H,3-16,21-39H2,1-2H3;1H
InChIKeyUKZUIUGOTDCHAB-UHFFFAOYSA-N
MW624.52 g/mol
LogP13.62
Rot. Bonds32

About 2,2-bis(octadec-9-enyl)morpholine;hydrochloride

2,2-bis(octadec-9-enyl)morpholine;hydrochloride (PubChem CID 173193985) has the molecular formula C40H78ClNO and a molecular weight of 624.52 g/mol. Its IUPAC name is 2,2-bis(octadec-9-enyl)morpholine;hydrochloride.

Molecular Properties

Compound Name2,2-bis(octadec-9-enyl)morpholine;hydrochloride
PubChem CID173193985
Molecular FormulaC40H78ClNO
Molecular Weight624.52 g/mol
Exact Mass623.58
IUPAC Name2,2-bis(octadec-9-enyl)morpholine;hydrochloride
SMILESCCCCCCCCC=CCCCCCCCCC1(CCCCCCCCC=CCCCCCCCC)CNCCO1.Cl
InChIInChI=1S/C40H77NO.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(39-41-37-38-42-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,41H,3-16,21-39H2,1-2H3;1H
InChIKeyUKZUIUGOTDCHAB-UHFFFAOYSA-N
XLogP13.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.52
LogP ≤ 513.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-bis(octadec-9-enyl)morpholine;hydrochloride?
The IUPAC name of 2,2-bis(octadec-9-enyl)morpholine;hydrochloride (CID 173193985) is 2,2-bis(octadec-9-enyl)morpholine;hydrochloride.
What is the SMILES notation for 2,2-bis(octadec-9-enyl)morpholine;hydrochloride?
The canonical SMILES for 2,2-bis(octadec-9-enyl)morpholine;hydrochloride is CCCCCCCCC=CCCCCCCCCC1(CCCCCCCCC=CCCCCCCCC)CNCCO1.Cl.
What is the InChIKey of 2,2-bis(octadec-9-enyl)morpholine;hydrochloride?
The InChIKey is UKZUIUGOTDCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H77NO.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(39-41-37-38-42-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,41H,3-16,21-39H2,1-2H3;1H.
What are the key properties of 2,2-bis(octadec-9-enyl)morpholine;hydrochloride?
2,2-bis(octadec-9-enyl)morpholine;hydrochloride has a molecular weight of 624.52 g/mol, XLogP of 13.62, 32 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(octadec-9-enyl)morpholine;hydrochloride is sourced from PubChem (CID 173193985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).