2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate

C35H67NO5 — CID 169320496

IUPAC2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate
SMILESCCCCCCCCCCC(COC(=O)C(CCCCCC)CCCCCCCC)OC(=O)CCN1CCOCC1
InChIInChI=1S/C35H67NO5/c1-4-7-10-13-15-16-18-21-24-33(41-34(37)25-26-36-27-29-39-30-28-36)31-40-35(38)32(22-19-12-9-6-3)23-20-17-14-11-8-5-2/h32-33H,4-31H2,1-3H3
InChIKeyAIGLMBKEESRGDU-UHFFFAOYSA-N
MW581.92 g/mol
LogP9.03
Rot. Bonds28

About 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate

2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate (PubChem CID 169320496) has the molecular formula C35H67NO5 and a molecular weight of 581.92 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate
PubChem CID169320496
Molecular FormulaC35H67NO5
Molecular Weight581.92 g/mol
Exact Mass581.50
IUPAC Name2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate
SMILESCCCCCCCCCCC(COC(=O)C(CCCCCC)CCCCCCCC)OC(=O)CCN1CCOCC1
InChIInChI=1S/C35H67NO5/c1-4-7-10-13-15-16-18-21-24-33(41-34(37)25-26-36-27-29-39-30-28-36)31-40-35(38)32(22-19-12-9-6-3)23-20-17-14-11-8-5-2/h32-33H,4-31H2,1-3H3
InChIKeyAIGLMBKEESRGDU-UHFFFAOYSA-N
XLogP9.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.92
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
2-[4-(dimethylamino)butanoyloxy]pentadecyl 2-octyldecanoate
CID 169320474
2-[4-(dimethylamino)butanoyloxy]pentadecyl 2-heptylnonanoate
CID 169320422
2-[4-(dimethylamino)butanoyloxy]hexadecyl 2-octyldecanoate
CID 169320651
2-[4-(dimethylamino)butanoyloxy]tetradecyl 2-octyldecanoate
CID 169320472
2-[4-(dimethylamino)butanoyloxy]pentadecyl 2-heptylundecanoate
CID 169320589
2-(3-piperidin-1-ylpropanoyloxy)propyl 2-ethyloctanoate
CID 170096688
2-[4-(dimethylamino)butanoyloxy]tridecyl 2-butyldodecanoate
CID 169320626
2-[6-(dimethylamino)hexanoyloxy]tridecyl 2-nonylundecanoate
CID 169320499
2-butanoyloxydodecyl butanoate
CID 165356501
CID 174952930
CID 174952930
2-morpholin-4-ylethyl octanoate
CID 23118480

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate?
The IUPAC name of 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate (CID 169320496) is 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate.
What is the SMILES notation for 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate?
The canonical SMILES for 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate is CCCCCCCCCCC(COC(=O)C(CCCCCC)CCCCCCCC)OC(=O)CCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate?
The InChIKey is AIGLMBKEESRGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H67NO5/c1-4-7-10-13-15-16-18-21-24-33(41-34(37)25-26-36-27-29-39-30-28-36)31-40-35(38)32(22-19-12-9-6-3)23-20-17-14-11-8-5-2/h32-33H,4-31H2,1-3H3.
What are the key properties of 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate?
2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate has a molecular weight of 581.92 g/mol, XLogP of 9.03, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropanoyloxy)dodecyl 2-hexyldecanoate is sourced from PubChem (CID 169320496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).