4-[4-(1,1-diethoxyethyl)dodecyl]morpholine

C22H45NO3 — CID 150051536

IUPAC4-[4-(1,1-diethoxyethyl)dodecyl]morpholine
SMILESCCCCCCCCC(CCCN1CCOCC1)C(C)(OCC)OCC
InChIInChI=1S/C22H45NO3/c1-5-8-9-10-11-12-14-21(22(4,25-6-2)26-7-3)15-13-16-23-17-19-24-20-18-23/h21H,5-20H2,1-4H3
InChIKeyDLKRNQONXZWRDJ-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.25
Rot. Bonds16

About 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine

4-[4-(1,1-diethoxyethyl)dodecyl]morpholine (PubChem CID 150051536) has the molecular formula C22H45NO3 and a molecular weight of 371.61 g/mol. Its IUPAC name is 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine.

Molecular Properties

Compound Name4-[4-(1,1-diethoxyethyl)dodecyl]morpholine
PubChem CID150051536
Molecular FormulaC22H45NO3
Molecular Weight371.61 g/mol
Exact Mass371.34
IUPAC Name4-[4-(1,1-diethoxyethyl)dodecyl]morpholine
SMILESCCCCCCCCC(CCCN1CCOCC1)C(C)(OCC)OCC
InChIInChI=1S/C22H45NO3/c1-5-8-9-10-11-12-14-21(22(4,25-6-2)26-7-3)15-13-16-23-17-19-24-20-18-23/h21H,5-20H2,1-4H3
InChIKeyDLKRNQONXZWRDJ-UHFFFAOYSA-N
XLogP5.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(triethoxymethyl)dodecyl]morpholine
CID 150992267
4-(4-methylnonyl)morpholine
CID 170444016
4-hexylmorpholine
CID 3614751
18-morpholin-4-yloctadecan-7-ol
CID 154324774
3-[4-(1,1-diethoxyethyl)dodecyl]-3-methyloxetane
CID 150046806
1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene
CID 151908395
4-(2-hexoxyethyl)morpholine
CID 3326674
butane;4-butylmorpholine
CID 177152600
4-hexyl-1,4-oxazepane
CID 166849903
4-(3-ethoxy-3-methylbutyl)morpholine
CID 167018299
4-(5-methoxyoctyl)morpholine
CID 144712043
2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine
CID 150210184

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine?
The IUPAC name of 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine (CID 150051536) is 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine.
What is the SMILES notation for 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine?
The canonical SMILES for 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine is CCCCCCCCC(CCCN1CCOCC1)C(C)(OCC)OCC.
What is the InChIKey of 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine?
The InChIKey is DLKRNQONXZWRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO3/c1-5-8-9-10-11-12-14-21(22(4,25-6-2)26-7-3)15-13-16-23-17-19-24-20-18-23/h21H,5-20H2,1-4H3.
What are the key properties of 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine?
4-[4-(1,1-diethoxyethyl)dodecyl]morpholine has a molecular weight of 371.61 g/mol, XLogP of 5.25, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-diethoxyethyl)dodecyl]morpholine is sourced from PubChem (CID 150051536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).