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

C18H35NO3 — CID 72548379

IUPAC2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCOCCN(CC)CC
InChIInChI=1S/C18H35NO3/c1-4-7-8-9-10-11-12-13-18(20)22-17-16-21-15-14-19(5-2)6-3/h12-13H,4-11,14-17H2,1-3H3/b13-12+
InChIKeyVYEGKQDCPAFLIM-OUKQBFOZSA-N
MW313.48 g/mol
LogP3.80
Rot. Bonds15

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

2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate (PubChem CID 72548379) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate
PubChem CID72548379
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCOCCN(CC)CC
InChIInChI=1S/C18H35NO3/c1-4-7-8-9-10-11-12-13-18(20)22-17-16-21-15-14-19(5-2)6-3/h12-13H,4-11,14-17H2,1-3H3/b13-12+
InChIKeyVYEGKQDCPAFLIM-OUKQBFOZSA-N
XLogP3.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.80
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-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate (CID 72548379) is 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate is CCCCCCC/C=C/C(=O)OCCOCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate?
The InChIKey is VYEGKQDCPAFLIM-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H35NO3/c1-4-7-8-9-10-11-12-13-18(20)22-17-16-21-15-14-19(5-2)6-3/h12-13H,4-11,14-17H2,1-3H3/b13-12+.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate?
2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate has a molecular weight of 313.48 g/mol, XLogP of 3.80, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl (E)-dec-2-enoate is sourced from PubChem (CID 72548379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).