4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine

C18H35NO — CID 11808124

IUPAC4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine
SMILESCCCCCCC(C)(/C=C/C(C)(C)C)N1CCOCC1
InChIInChI=1S/C18H35NO/c1-6-7-8-9-10-18(5,12-11-17(2,3)4)19-13-15-20-16-14-19/h11-12H,6-10,13-16H2,1-5H3/b12-11+
InChIKeyATJZIKAXMJILJT-VAWYXSNFSA-N
MW281.48 g/mol
LogP4.65
Rot. Bonds7

About 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine

4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine (PubChem CID 11808124) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine
PubChem CID11808124
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine
SMILESCCCCCCC(C)(/C=C/C(C)(C)C)N1CCOCC1
InChIInChI=1S/C18H35NO/c1-6-7-8-9-10-18(5,12-11-17(2,3)4)19-13-15-20-16-14-19/h11-12H,6-10,13-16H2,1-5H3/b12-11+
InChIKeyATJZIKAXMJILJT-VAWYXSNFSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 138551223
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2-morpholin-4-yloctane-1,2-diol
CID 70461698
3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
CID 63169684
1,4-dioxane;tetradecane
CID 159034856
4-(4-benzyltetradecan-4-yl)morpholine
CID 54485656
4-[2-(4-methylnonan-4-yloxy)ethyl]morpholine
CID 126510289
7-methyltetradecan-7-yl morpholine-4-carboxylate
CID 139318939
3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine
CID 134441561
4-hexylmorpholine
CID 3614751
4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride
CID 173231526

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine?
The IUPAC name of 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine (CID 11808124) is 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine.
What is the SMILES notation for 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine?
The canonical SMILES for 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine is CCCCCCC(C)(/C=C/C(C)(C)C)N1CCOCC1.
What is the InChIKey of 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine?
The InChIKey is ATJZIKAXMJILJT-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H35NO/c1-6-7-8-9-10-18(5,12-11-17(2,3)4)19-13-15-20-16-14-19/h11-12H,6-10,13-16H2,1-5H3/b12-11+.
What are the key properties of 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine?
4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine has a molecular weight of 281.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,2,5-trimethylundec-3-en-5-yl]morpholine is sourced from PubChem (CID 11808124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).