2,2-didodecylmorpholine

C28H57NO — CID 66616600

IUPAC2,2-didodecylmorpholine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)CNCCO1
InChIInChI=1S/C28H57NO/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-29-25-26-30-28)24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-27H2,1-2H3
InChIKeyJXAMTMADMAQILZ-UHFFFAOYSA-N
MW423.77 g/mol
LogP8.97
Rot. Bonds22

About 2,2-didodecylmorpholine

2,2-didodecylmorpholine (PubChem CID 66616600) has the molecular formula C28H57NO and a molecular weight of 423.77 g/mol. Its IUPAC name is 2,2-didodecylmorpholine.

Molecular Properties

Compound Name2,2-didodecylmorpholine
PubChem CID66616600
Molecular FormulaC28H57NO
Molecular Weight423.77 g/mol
Exact Mass423.44
IUPAC Name2,2-didodecylmorpholine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)CNCCO1
InChIInChI=1S/C28H57NO/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-29-25-26-30-28)24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-27H2,1-2H3
InChIKeyJXAMTMADMAQILZ-UHFFFAOYSA-N
XLogP8.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-didodecylmorpholine?
The IUPAC name of 2,2-didodecylmorpholine (CID 66616600) is 2,2-didodecylmorpholine.
What is the SMILES notation for 2,2-didodecylmorpholine?
The canonical SMILES for 2,2-didodecylmorpholine is CCCCCCCCCCCCC1(CCCCCCCCCCCC)CNCCO1.
What is the InChIKey of 2,2-didodecylmorpholine?
The InChIKey is JXAMTMADMAQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-29-25-26-30-28)24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-27H2,1-2H3.
What are the key properties of 2,2-didodecylmorpholine?
2,2-didodecylmorpholine has a molecular weight of 423.77 g/mol, XLogP of 8.97, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-didodecylmorpholine is sourced from PubChem (CID 66616600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).