1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one

C10H14O4 — CID 23591514

IUPAC1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one
SMILESC=CC(=O)COCCOCC(=O)C=C
InChIInChI=1S/C10H14O4/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyDPZXXJJXGHNCQD-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.53
Rot. Bonds9

About 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one

1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one (PubChem CID 23591514) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one.

Molecular Properties

Compound Name1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one
PubChem CID23591514
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one
SMILESC=CC(=O)COCCOCC(=O)C=C
InChIInChI=1S/C10H14O4/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyDPZXXJJXGHNCQD-UHFFFAOYSA-N
XLogP0.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.53
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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Related Compounds

Ethoxybutenone
CID 10931402
1-[2-Fluoro-2,3-bis(2-oxobut-3-enoxy)propoxy]but-3-en-2-one
CID 58122167
4-[2-[2-(2,4-Dioxobut-3-enoxy)ethoxy]ethoxy]but-1-ene-1,3-dione
CID 134893345
1-Butoxybut-3-en-2-one
CID 15942424
1-Butan-2-yloxybut-3-en-2-one
CID 21020566
1-[2,3-Bis(2-oxobut-3-enoxy)propoxy]but-3-en-2-one
CID 58820787
1-Propoxybut-3-en-2-one
CID 59115026
1-(2-Hydroxyethoxy)but-3-en-2-one
CID 59460197
1-(2-Butan-2-yloxyethoxy)but-3-en-2-one
CID 59775532
1-(2-Oxobut-3-enoxy)but-3-en-2-one
CID 88807152
1-Butan-2-yloxybut-3-en-2-one;propane
CID 91217858
1-But-3-enoxybut-3-en-2-one
CID 101200727

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one?
The IUPAC name of 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one (CID 23591514) is 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one.
What is the SMILES notation for 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one?
The canonical SMILES for 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one is C=CC(=O)COCCOCC(=O)C=C.
What is the InChIKey of 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one?
The InChIKey is DPZXXJJXGHNCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3-4H,1-2,5-8H2.
What are the key properties of 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one?
1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one is sourced from PubChem (CID 23591514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).