methyl 11-(diethylamino)-10-hydroxyundecanoate

C16H33NO3 — CID 3384962

IUPACmethyl 11-(diethylamino)-10-hydroxyundecanoate
SMILESCCN(CC)CC(O)CCCCCCCCC(=O)OC
InChIInChI=1S/C16H33NO3/c1-4-17(5-2)14-15(18)12-10-8-6-7-9-11-13-16(19)20-3/h15,18H,4-14H2,1-3H3
InChIKeyVQDIZCMDQNMFSY-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.98
Rot. Bonds13

About methyl 11-(diethylamino)-10-hydroxyundecanoate

methyl 11-(diethylamino)-10-hydroxyundecanoate (PubChem CID 3384962) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is methyl 11-(diethylamino)-10-hydroxyundecanoate.

Molecular Properties

Compound Namemethyl 11-(diethylamino)-10-hydroxyundecanoate
PubChem CID3384962
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Namemethyl 11-(diethylamino)-10-hydroxyundecanoate
SMILESCCN(CC)CC(O)CCCCCCCCC(=O)OC
InChIInChI=1S/C16H33NO3/c1-4-17(5-2)14-15(18)12-10-8-6-7-9-11-13-16(19)20-3/h15,18H,4-14H2,1-3H3
InChIKeyVQDIZCMDQNMFSY-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl 11-bromo-10-hydroxyundecanoate
CID 13032690
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
methyl 21-methyldocosanoate
CID 14178788
methyl (6R)-6,8-dihydroxyoctanoate
CID 10442514

Frequently Asked Questions

What is the IUPAC name of methyl 11-(diethylamino)-10-hydroxyundecanoate?
The IUPAC name of methyl 11-(diethylamino)-10-hydroxyundecanoate (CID 3384962) is methyl 11-(diethylamino)-10-hydroxyundecanoate.
What is the SMILES notation for methyl 11-(diethylamino)-10-hydroxyundecanoate?
The canonical SMILES for methyl 11-(diethylamino)-10-hydroxyundecanoate is CCN(CC)CC(O)CCCCCCCCC(=O)OC.
What is the InChIKey of methyl 11-(diethylamino)-10-hydroxyundecanoate?
The InChIKey is VQDIZCMDQNMFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-4-17(5-2)14-15(18)12-10-8-6-7-9-11-13-16(19)20-3/h15,18H,4-14H2,1-3H3.
What are the key properties of methyl 11-(diethylamino)-10-hydroxyundecanoate?
methyl 11-(diethylamino)-10-hydroxyundecanoate has a molecular weight of 287.44 g/mol, XLogP of 2.98, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-(diethylamino)-10-hydroxyundecanoate is sourced from PubChem (CID 3384962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).