1-(2-dodecylmorpholin-2-yl)ethanol

C18H37NO2 — CID 19898341

IUPAC1-(2-dodecylmorpholin-2-yl)ethanol
SMILESCCCCCCCCCCCCC1(C(C)O)CNCCO1
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18(17(2)20)16-19-14-15-21-18/h17,19-20H,3-16H2,1-2H3
InChIKeyMRJFLWWTZKENRT-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.04
Rot. Bonds12

About 1-(2-dodecylmorpholin-2-yl)ethanol

1-(2-dodecylmorpholin-2-yl)ethanol (PubChem CID 19898341) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-(2-dodecylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-dodecylmorpholin-2-yl)ethanol
PubChem CID19898341
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-(2-dodecylmorpholin-2-yl)ethanol
SMILESCCCCCCCCCCCCC1(C(C)O)CNCCO1
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18(17(2)20)16-19-14-15-21-18/h17,19-20H,3-16H2,1-2H3
InChIKeyMRJFLWWTZKENRT-UHFFFAOYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecylmorpholin-2-yl)ethanol?
The IUPAC name of 1-(2-dodecylmorpholin-2-yl)ethanol (CID 19898341) is 1-(2-dodecylmorpholin-2-yl)ethanol.
What is the SMILES notation for 1-(2-dodecylmorpholin-2-yl)ethanol?
The canonical SMILES for 1-(2-dodecylmorpholin-2-yl)ethanol is CCCCCCCCCCCCC1(C(C)O)CNCCO1.
What is the InChIKey of 1-(2-dodecylmorpholin-2-yl)ethanol?
The InChIKey is MRJFLWWTZKENRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18(17(2)20)16-19-14-15-21-18/h17,19-20H,3-16H2,1-2H3.
What are the key properties of 1-(2-dodecylmorpholin-2-yl)ethanol?
1-(2-dodecylmorpholin-2-yl)ethanol has a molecular weight of 299.50 g/mol, XLogP of 4.04, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecylmorpholin-2-yl)ethanol is sourced from PubChem (CID 19898341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).