4-[4-(triethoxymethyl)dodecyl]morpholine

C23H47NO4 — CID 150992267

IUPAC4-[4-(triethoxymethyl)dodecyl]morpholine
SMILESCCCCCCCCC(CCCN1CCOCC1)C(OCC)(OCC)OCC
InChIInChI=1S/C23H47NO4/c1-5-9-10-11-12-13-15-22(16-14-17-24-18-20-25-21-19-24)23(26-6-2,27-7-3)28-8-4/h22H,5-21H2,1-4H3
InChIKeyLSIZDXYLOVPOEM-UHFFFAOYSA-N
MW401.63 g/mol
LogP5.23
Rot. Bonds18

About 4-[4-(triethoxymethyl)dodecyl]morpholine

4-[4-(triethoxymethyl)dodecyl]morpholine (PubChem CID 150992267) has the molecular formula C23H47NO4 and a molecular weight of 401.63 g/mol. Its IUPAC name is 4-[4-(triethoxymethyl)dodecyl]morpholine.

Molecular Properties

Compound Name4-[4-(triethoxymethyl)dodecyl]morpholine
PubChem CID150992267
Molecular FormulaC23H47NO4
Molecular Weight401.63 g/mol
Exact Mass401.35
IUPAC Name4-[4-(triethoxymethyl)dodecyl]morpholine
SMILESCCCCCCCCC(CCCN1CCOCC1)C(OCC)(OCC)OCC
InChIInChI=1S/C23H47NO4/c1-5-9-10-11-12-13-15-22(16-14-17-24-18-20-25-21-19-24)23(26-6-2,27-7-3)28-8-4/h22H,5-21H2,1-4H3
InChIKeyLSIZDXYLOVPOEM-UHFFFAOYSA-N
XLogP5.23
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.63
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[4-(triethoxymethyl)dodecyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1,1-diethoxyethyl)dodecyl]morpholine
CID 150051536
4-(4-methylnonyl)morpholine
CID 170444016
4-hexylmorpholine
CID 3614751
18-morpholin-4-yloctadecan-7-ol
CID 154324774
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
2-[(5R)-5-(triethoxymethyl)tridecyl]oxirane
CID 152723886
4-(2-hexoxyethyl)morpholine
CID 3326674
butane;4-butylmorpholine
CID 177152600
4-hexyl-1,4-oxazepane
CID 166849903
isocyanic acid;4-(triethoxymethyl)dodecane
CID 172765955
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083

Frequently Asked Questions

What is the IUPAC name of 4-[4-(triethoxymethyl)dodecyl]morpholine?
The IUPAC name of 4-[4-(triethoxymethyl)dodecyl]morpholine (CID 150992267) is 4-[4-(triethoxymethyl)dodecyl]morpholine.
What is the SMILES notation for 4-[4-(triethoxymethyl)dodecyl]morpholine?
The canonical SMILES for 4-[4-(triethoxymethyl)dodecyl]morpholine is CCCCCCCCC(CCCN1CCOCC1)C(OCC)(OCC)OCC.
What is the InChIKey of 4-[4-(triethoxymethyl)dodecyl]morpholine?
The InChIKey is LSIZDXYLOVPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO4/c1-5-9-10-11-12-13-15-22(16-14-17-24-18-20-25-21-19-24)23(26-6-2,27-7-3)28-8-4/h22H,5-21H2,1-4H3.
What are the key properties of 4-[4-(triethoxymethyl)dodecyl]morpholine?
4-[4-(triethoxymethyl)dodecyl]morpholine has a molecular weight of 401.63 g/mol, XLogP of 5.23, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(triethoxymethyl)dodecyl]morpholine is sourced from PubChem (CID 150992267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).