6-(2-oxobut-3-enoxy)hex-1-en-3-one

C10H14O3 — CID 147998253

IUPAC6-(2-oxobut-3-enoxy)hex-1-en-3-one
SMILESC=CC(=O)CCCOCC(=O)C=C
InChIInChI=1S/C10H14O3/c1-3-9(11)6-5-7-13-8-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyIWKQDDKFFLTNHW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds8

About 6-(2-oxobut-3-enoxy)hex-1-en-3-one

6-(2-oxobut-3-enoxy)hex-1-en-3-one (PubChem CID 147998253) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-(2-oxobut-3-enoxy)hex-1-en-3-one.

Molecular Properties

Compound Name6-(2-oxobut-3-enoxy)hex-1-en-3-one
PubChem CID147998253
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-(2-oxobut-3-enoxy)hex-1-en-3-one
SMILESC=CC(=O)CCCOCC(=O)C=C
InChIInChI=1S/C10H14O3/c1-3-9(11)6-5-7-13-8-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyIWKQDDKFFLTNHW-UHFFFAOYSA-N
XLogP1.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
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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Related Compounds

6-Ethoxyhex-1-en-3-one
CID 20675034
Ethoxy methylideneacetylacetone
CID 53423746
6-Propoxyhex-1-en-3-one
CID 57272050
6-(4-Oxohex-5-enoxy)hex-1-en-3-one
CID 57316280
5-Ethoxyhex-5-ene-2,4-dione
CID 89819809
2-Ethenoxyhex-1-en-3-one
CID 123668026
1-(Oxetan-2-yl)prop-2-en-1-one
CID 154090851
6-Ethenoxyhex-1-en-3-one
CID 158727116
2-Ethoxyhex-1-en-3-one
CID 13040570
1-Ethoxyhex-5-en-2-one
CID 65670281
1-Pent-4-enoxybut-3-en-2-one
CID 101200728
4-Ethoxyhex-1-en-3-one
CID 116707626

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxobut-3-enoxy)hex-1-en-3-one?
The IUPAC name of 6-(2-oxobut-3-enoxy)hex-1-en-3-one (CID 147998253) is 6-(2-oxobut-3-enoxy)hex-1-en-3-one.
What is the SMILES notation for 6-(2-oxobut-3-enoxy)hex-1-en-3-one?
The canonical SMILES for 6-(2-oxobut-3-enoxy)hex-1-en-3-one is C=CC(=O)CCCOCC(=O)C=C.
What is the InChIKey of 6-(2-oxobut-3-enoxy)hex-1-en-3-one?
The InChIKey is IWKQDDKFFLTNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-9(11)6-5-7-13-8-10(12)4-2/h3-4H,1-2,5-8H2.
What are the key properties of 6-(2-oxobut-3-enoxy)hex-1-en-3-one?
6-(2-oxobut-3-enoxy)hex-1-en-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxobut-3-enoxy)hex-1-en-3-one is sourced from PubChem (CID 147998253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).