4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine

C21H37NO2 — CID 163793089

IUPAC4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOCCN1CCOCC1
InChIInChI=1S/C21H37NO2/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-15-23-16-12-22-13-17-24-18-14-22/h7,9,11H,5-6,8,10,12-18H2,1-4H3
InChIKeyMYNDYYXHIUXKSC-UHFFFAOYSA-N
MW335.53 g/mol
LogP4.75
Rot. Bonds11

About 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine

4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine (PubChem CID 163793089) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine
PubChem CID163793089
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOCCN1CCOCC1
InChIInChI=1S/C21H37NO2/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-15-23-16-12-22-13-17-24-18-14-22/h7,9,11H,5-6,8,10,12-18H2,1-4H3
InChIKeyMYNDYYXHIUXKSC-UHFFFAOYSA-N
XLogP4.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, 4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446852
4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine
CID 11673016
4-[(2Z)-3,7-dimethylocta-2,6-dienyl]morpholine
CID 101429376
4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
CID 59434655
4-Methyl-2-oct-2-en-2-ylmorpholine
CID 70610956
4-[2-(5-Methylhex-2-enoxy)ethyl]morpholine
CID 72298043
4-(3,7-Dimethylocta-2,6-dienyl)morpholine
CID 73049864
4-[2-[(2Z,4E)-4-tert-butylhepta-2,4,6-trienoxy]ethyl]morpholine
CID 90089397
4-(2-Pent-2-enoxyethyl)morpholine
CID 91107015
4-[2-[(E)-pent-2-enoxy]ethyl]morpholine
CID 126724406
4-[2-[(E)-hex-2-enoxy]ethyl]morpholine
CID 126724688
4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]morpholine
CID 139662735

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine (CID 163793089) is 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine is CC(C)=CCCC(C)=CCCC(C)=CCOCCN1CCOCC1.
What is the InChIKey of 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine?
The InChIKey is MYNDYYXHIUXKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-15-23-16-12-22-13-17-24-18-14-22/h7,9,11H,5-6,8,10,12-18H2,1-4H3.
What are the key properties of 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine?
4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine has a molecular weight of 335.53 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine is sourced from PubChem (CID 163793089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).