methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride

C16H34ClNO3 — CID 16682308

IUPACmethyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride
SMILESCCN(CC)CC(O)CCCCCCCCC(=O)OC.Cl
InChIInChI=1S/C16H33NO3.ClH/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;1H
InChIKeyGZBABNORCRRLET-UHFFFAOYSA-N
MW323.91 g/mol
LogP3.40
Rot. Bonds13

About methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride

methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride (PubChem CID 16682308) has the molecular formula C16H34ClNO3 and a molecular weight of 323.91 g/mol. Its IUPAC name is methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride
PubChem CID16682308
Molecular FormulaC16H34ClNO3
Molecular Weight323.91 g/mol
Exact Mass323.22
IUPAC Namemethyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride
SMILESCCN(CC)CC(O)CCCCCCCCC(=O)OC.Cl
InChIInChI=1S/C16H33NO3.ClH/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;1H
InChIKeyGZBABNORCRRLET-UHFFFAOYSA-N
XLogP3.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride?
The IUPAC name of methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride (CID 16682308) is methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride.
What is the SMILES notation for methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride?
The canonical SMILES for methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride is CCN(CC)CC(O)CCCCCCCCC(=O)OC.Cl.
What is the InChIKey of methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride?
The InChIKey is GZBABNORCRRLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3.ClH/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;1H.
What are the key properties of methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride?
methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride has a molecular weight of 323.91 g/mol, XLogP of 3.40, 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;hydrochloride is sourced from PubChem (CID 16682308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).