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

hexadeca-1,15-diene-3,14-dione;1-[2-(2-oxobut-3-enoxy)ethoxy]but-3-en-2-one;6-[2-(4-oxohex-5-enoxy)ethoxy]hex-1-en-3-one;4-prop-2-enoyloxybutyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;8-prop-2-enoyloxyoctyl prop-2-enoate;(4-prop-2-enoyloxyphenyl) prop-2-enoate
CID 158811969
1-(hydroxymethoxy)but-3-en-2-one;methane
CID 159002553
1-[3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propoxy]but-3-en-2-one
CID 140777508
5-[3-(methylamino)propoxy]pent-1-en-3-one
CID 90191317
6-[3-chloro-1-(4-oxohex-5-enoxy)propoxy]hex-1-en-3-one
CID 158653492
1-[4-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]butoxy]but-3-en-2-one
CID 140777511
[5-oxo-2-[[4-(2-oxobut-3-enoxy)-2,2-bis(prop-2-enoyloxymethyl)butoxy]methyl]-2-(prop-2-enoyloxymethyl)hept-6-enyl] prop-2-enoate
CID 58570179
11-oxotridec-12-enoic acid
CID 3032036
10-[2-hydroxyethyl(7-octoxyheptyl)amino]dec-1-en-3-one
CID 170755289
4-[4-[5-(2-oxobut-3-enoxy)pentoxycarbonyl]cyclohexyl]cyclohexane-1-carboxylic acid
CID 155329080
6-[2-(3-ethyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)ethoxy]hex-1-en-3-one
CID 166854727
3-oxopent-4-enyl formate
CID 21299965

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).