[3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate

C17H33NO2 — CID 76513257

IUPAC[3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate
SMILESCCCCCCCC=CC(=O)OCC(C)(C)CN(C)C
InChIInChI=1S/C17H33NO2/c1-6-7-8-9-10-11-12-13-16(19)20-15-17(2,3)14-18(4)5/h12-13H,6-11,14-15H2,1-5H3
InChIKeyGNGYGLIDGHEDLX-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.03
Rot. Bonds11

About [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate

[3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate (PubChem CID 76513257) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate.

Molecular Properties

Compound Name[3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate
PubChem CID76513257
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate
SMILESCCCCCCCC=CC(=O)OCC(C)(C)CN(C)C
InChIInChI=1S/C17H33NO2/c1-6-7-8-9-10-11-12-13-16(19)20-15-17(2,3)14-18(4)5/h12-13H,6-11,14-15H2,1-5H3
InChIKeyGNGYGLIDGHEDLX-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate?
The IUPAC name of [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate (CID 76513257) is [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate.
What is the SMILES notation for [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate?
The canonical SMILES for [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate is CCCCCCCC=CC(=O)OCC(C)(C)CN(C)C.
What is the InChIKey of [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate?
The InChIKey is GNGYGLIDGHEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-7-8-9-10-11-12-13-16(19)20-15-17(2,3)14-18(4)5/h12-13H,6-11,14-15H2,1-5H3.
What are the key properties of [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate?
[3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate has a molecular weight of 283.46 g/mol, XLogP of 4.03, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2,2-dimethylpropyl] dec-2-enoate is sourced from PubChem (CID 76513257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).