propyl 10-hydroxy-11-morpholin-4-ylundecanoate

C18H35NO4 — CID 6421824

IUPACpropyl 10-hydroxy-11-morpholin-4-ylundecanoate
SMILESCCCOC(=O)CCCCCCCCC(O)CN1CCOCC1
InChIInChI=1S/C18H35NO4/c1-2-13-23-18(21)10-8-6-4-3-5-7-9-17(20)16-19-11-14-22-15-12-19/h17,20H,2-16H2,1H3
InChIKeyMMJZMVOEQQTPGS-UHFFFAOYSA-N
MW329.48 g/mol
LogP2.75
Rot. Bonds13

About propyl 10-hydroxy-11-morpholin-4-ylundecanoate

propyl 10-hydroxy-11-morpholin-4-ylundecanoate (PubChem CID 6421824) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is propyl 10-hydroxy-11-morpholin-4-ylundecanoate.

Molecular Properties

Compound Namepropyl 10-hydroxy-11-morpholin-4-ylundecanoate
PubChem CID6421824
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namepropyl 10-hydroxy-11-morpholin-4-ylundecanoate
SMILESCCCOC(=O)CCCCCCCCC(O)CN1CCOCC1
InChIInChI=1S/C18H35NO4/c1-2-13-23-18(21)10-8-6-4-3-5-7-9-17(20)16-19-11-14-22-15-12-19/h17,20H,2-16H2,1H3
InChIKeyMMJZMVOEQQTPGS-UHFFFAOYSA-N
XLogP2.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
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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Related Compounds

CID 104214
CID 104214
CID 87054
CID 87054
CID 16682308
CID 16682308
CID 3772671
CID 3772671
CID 12005532
CID 12005532
CID 16193371
CID 16193371
CID 165801
CID 165801
CID 74527
CID 74527
CID 53481632
CID 53481632
CID 87185405
CID 87185405
CID 16682274
CID 16682274
CID 71464535
CID 71464535

Frequently Asked Questions

What is the IUPAC name of propyl 10-hydroxy-11-morpholin-4-ylundecanoate?
The IUPAC name of propyl 10-hydroxy-11-morpholin-4-ylundecanoate (CID 6421824) is propyl 10-hydroxy-11-morpholin-4-ylundecanoate.
What is the SMILES notation for propyl 10-hydroxy-11-morpholin-4-ylundecanoate?
The canonical SMILES for propyl 10-hydroxy-11-morpholin-4-ylundecanoate is CCCOC(=O)CCCCCCCCC(O)CN1CCOCC1.
What is the InChIKey of propyl 10-hydroxy-11-morpholin-4-ylundecanoate?
The InChIKey is MMJZMVOEQQTPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-2-13-23-18(21)10-8-6-4-3-5-7-9-17(20)16-19-11-14-22-15-12-19/h17,20H,2-16H2,1H3.
What are the key properties of propyl 10-hydroxy-11-morpholin-4-ylundecanoate?
propyl 10-hydroxy-11-morpholin-4-ylundecanoate has a molecular weight of 329.48 g/mol, XLogP of 2.75, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 10-hydroxy-11-morpholin-4-ylundecanoate is sourced from PubChem (CID 6421824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).