2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate

C16H31NO3 — CID 57331718

IUPAC2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCOCCN(C)C
InChIInChI=1S/C16H31NO3/c1-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17(2)3/h10-11H,4-9,12-15H2,1-3H3/b11-10+
InChIKeyDNBPTJCSLUUUJP-ZHACJKMWSA-N
MW285.43 g/mol
LogP3.02
Rot. Bonds13

About 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate

2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate (PubChem CID 57331718) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate
PubChem CID57331718
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCOCCN(C)C
InChIInChI=1S/C16H31NO3/c1-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17(2)3/h10-11H,4-9,12-15H2,1-3H3/b11-10+
InChIKeyDNBPTJCSLUUUJP-ZHACJKMWSA-N
XLogP3.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate (CID 57331718) is 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate is CCCCCCC/C=C/C(=O)OCCOCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate?
The InChIKey is DNBPTJCSLUUUJP-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H31NO3/c1-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17(2)3/h10-11H,4-9,12-15H2,1-3H3/b11-10+.
What are the key properties of 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate?
2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate has a molecular weight of 285.43 g/mol, XLogP of 3.02, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]ethyl (E)-dec-2-enoate is sourced from PubChem (CID 57331718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).