methyl 10-(diethylamino)-10-oxodecanoate

C15H29NO3 — CID 11459951

IUPACmethyl 10-(diethylamino)-10-oxodecanoate
SMILESCCN(CC)C(=O)CCCCCCCCC(=O)OC
InChIInChI=1S/C15H29NO3/c1-4-16(5-2)14(17)12-10-8-6-7-9-11-13-15(18)19-3/h4-13H2,1-3H3
InChIKeyVXBOZLIZSXDGNY-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.15
Rot. Bonds11

About methyl 10-(diethylamino)-10-oxodecanoate

methyl 10-(diethylamino)-10-oxodecanoate (PubChem CID 11459951) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 10-(diethylamino)-10-oxodecanoate.

Molecular Properties

Compound Namemethyl 10-(diethylamino)-10-oxodecanoate
PubChem CID11459951
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 10-(diethylamino)-10-oxodecanoate
SMILESCCN(CC)C(=O)CCCCCCCCC(=O)OC
InChIInChI=1S/C15H29NO3/c1-4-16(5-2)14(17)12-10-8-6-7-9-11-13-15(18)19-3/h4-13H2,1-3H3
InChIKeyVXBOZLIZSXDGNY-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 10-(diethylamino)-10-oxodecanoate?
The IUPAC name of methyl 10-(diethylamino)-10-oxodecanoate (CID 11459951) is methyl 10-(diethylamino)-10-oxodecanoate.
What is the SMILES notation for methyl 10-(diethylamino)-10-oxodecanoate?
The canonical SMILES for methyl 10-(diethylamino)-10-oxodecanoate is CCN(CC)C(=O)CCCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-(diethylamino)-10-oxodecanoate?
The InChIKey is VXBOZLIZSXDGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-16(5-2)14(17)12-10-8-6-7-9-11-13-15(18)19-3/h4-13H2,1-3H3.
What are the key properties of methyl 10-(diethylamino)-10-oxodecanoate?
methyl 10-(diethylamino)-10-oxodecanoate has a molecular weight of 271.40 g/mol, XLogP of 3.15, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(diethylamino)-10-oxodecanoate is sourced from PubChem (CID 11459951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).