propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate

C18H35NO4 — CID 4018233

IUPACpropan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate
SMILESCC(C)OC(=O)CCCCCCCCC(O)CN1CCOCC1
InChIInChI=1S/C18H35NO4/c1-16(2)23-18(21)10-8-6-4-3-5-7-9-17(20)15-19-11-13-22-14-12-19/h16-17,20H,3-15H2,1-2H3
InChIKeyGTKUXMDEDJIYGC-UHFFFAOYSA-N
MW329.48 g/mol
LogP2.75
Rot. Bonds12

About propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate

propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate (PubChem CID 4018233) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate.

Molecular Properties

Compound Namepropan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate
PubChem CID4018233
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namepropan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate
SMILESCC(C)OC(=O)CCCCCCCCC(O)CN1CCOCC1
InChIInChI=1S/C18H35NO4/c1-16(2)23-18(21)10-8-6-4-3-5-7-9-17(20)15-19-11-13-22-14-12-19/h16-17,20H,3-15H2,1-2H3
InChIKeyGTKUXMDEDJIYGC-UHFFFAOYSA-N
XLogP2.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate?
The IUPAC name of propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate (CID 4018233) is propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate.
What is the SMILES notation for propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate?
The canonical SMILES for propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate is CC(C)OC(=O)CCCCCCCCC(O)CN1CCOCC1.
What is the InChIKey of propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate?
The InChIKey is GTKUXMDEDJIYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-16(2)23-18(21)10-8-6-4-3-5-7-9-17(20)15-19-11-13-22-14-12-19/h16-17,20H,3-15H2,1-2H3.
What are the key properties of propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate?
propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate has a molecular weight of 329.48 g/mol, XLogP of 2.75, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 10-hydroxy-11-morpholin-4-ylundecanoate is sourced from PubChem (CID 4018233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).