decyl (E)-2-ethylbut-2-enoate

C16H30O2 — CID 164546681

IUPACdecyl (E)-2-ethylbut-2-enoate
SMILESC/C=C(\CC)C(=O)OCCCCCCCCCC
InChIInChI=1S/C16H30O2/c1-4-7-8-9-10-11-12-13-14-18-16(17)15(5-2)6-3/h5H,4,6-14H2,1-3H3/b15-5+
InChIKeyLKPILQVFSOIJSX-PJQLUOCWSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds11

About decyl (E)-2-ethylbut-2-enoate

decyl (E)-2-ethylbut-2-enoate (PubChem CID 164546681) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is decyl (E)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namedecyl (E)-2-ethylbut-2-enoate
PubChem CID164546681
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Namedecyl (E)-2-ethylbut-2-enoate
SMILESC/C=C(\CC)C(=O)OCCCCCCCCCC
InChIInChI=1S/C16H30O2/c1-4-7-8-9-10-11-12-13-14-18-16(17)15(5-2)6-3/h5H,4,6-14H2,1-3H3/b15-5+
InChIKeyLKPILQVFSOIJSX-PJQLUOCWSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

octadecyl 2-ethylideneicosanoate
CID 174753193
heptyl 2-ethylidenepentanoate
CID 175046581
heptyl 2-ethylpent-2-enoate
CID 175495324
ditridecyl oxalate
CID 18377796
hexyl 2-aminobut-2-enoate
CID 141223654
octadecyl 2-hydroxybut-2-enoate
CID 141498457
undecyl (E)-2-methylbut-2-enoate
CID 91701896
dodecyl 2-aminobut-2-enoate
CID 154120313
dipentyl 2-ethylidenepropanedioate
CID 151511130
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
tetradecyl 2-chloroprop-2-enoate
CID 54118378

Frequently Asked Questions

What is the IUPAC name of decyl (E)-2-ethylbut-2-enoate?
The IUPAC name of decyl (E)-2-ethylbut-2-enoate (CID 164546681) is decyl (E)-2-ethylbut-2-enoate.
What is the SMILES notation for decyl (E)-2-ethylbut-2-enoate?
The canonical SMILES for decyl (E)-2-ethylbut-2-enoate is C/C=C(\CC)C(=O)OCCCCCCCCCC.
What is the InChIKey of decyl (E)-2-ethylbut-2-enoate?
The InChIKey is LKPILQVFSOIJSX-PJQLUOCWSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-7-8-9-10-11-12-13-14-18-16(17)15(5-2)6-3/h5H,4,6-14H2,1-3H3/b15-5+.
What are the key properties of decyl (E)-2-ethylbut-2-enoate?
decyl (E)-2-ethylbut-2-enoate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl (E)-2-ethylbut-2-enoate is sourced from PubChem (CID 164546681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).