2,4-diethyl-3-methoxycyclobut-2-en-1-one

C9H14O2 — CID 130028975

IUPAC2,4-diethyl-3-methoxycyclobut-2-en-1-one
SMILESCCC1=C(OC)C(CC)C1=O
InChIInChI=1S/C9H14O2/c1-4-6-8(10)7(5-2)9(6)11-3/h6H,4-5H2,1-3H3
InChIKeyWSFAMWONMDSTLA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About 2,4-diethyl-3-methoxycyclobut-2-en-1-one

2,4-diethyl-3-methoxycyclobut-2-en-1-one (PubChem CID 130028975) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,4-diethyl-3-methoxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2,4-diethyl-3-methoxycyclobut-2-en-1-one
PubChem CID130028975
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,4-diethyl-3-methoxycyclobut-2-en-1-one
SMILESCCC1=C(OC)C(CC)C1=O
InChIInChI=1S/C9H14O2/c1-4-6-8(10)7(5-2)9(6)11-3/h6H,4-5H2,1-3H3
InChIKeyWSFAMWONMDSTLA-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-Pyran-4-one, 2-ethyl-2,3-dihydro-3,5-dimethyl-6-(1-methyl-2-oxobutyl)-, (2S,3R)-
CID 159006
Stegobinone
CID 194878
(2S,3R)-2,3,5-Trimethyl-6-[(2R)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one
CID 10966164
3-Methoxy-4-propan-2-ylcyclobut-3-ene-1,2-dione
CID 10630715
2,3-Dihydro-3,5-dimethyl-2,6-diethyl-4h-pyran-4-one
CID 13391759
3-Ethoxy-2,4-dimethylcyclobut-2-en-1-one
CID 298849
2-Ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)-2,3-dihydropyran-4-one
CID 13116581
(2S,3R)-2,3,5-trimethyl-6-[(2S)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one
CID 12784462
3-Methoxy-2-methyl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134877714
3-Methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one
CID 164675992
2,4-Dibutyl-3-ethoxycyclobut-2-en-1-one
CID 297702
(2S,3R)-2-ethyl-3,5-dimethyl-6-[(2R)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one
CID 11806699

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3-methoxycyclobut-2-en-1-one?
The IUPAC name of 2,4-diethyl-3-methoxycyclobut-2-en-1-one (CID 130028975) is 2,4-diethyl-3-methoxycyclobut-2-en-1-one.
What is the SMILES notation for 2,4-diethyl-3-methoxycyclobut-2-en-1-one?
The canonical SMILES for 2,4-diethyl-3-methoxycyclobut-2-en-1-one is CCC1=C(OC)C(CC)C1=O.
What is the InChIKey of 2,4-diethyl-3-methoxycyclobut-2-en-1-one?
The InChIKey is WSFAMWONMDSTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-6-8(10)7(5-2)9(6)11-3/h6H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-3-methoxycyclobut-2-en-1-one?
2,4-diethyl-3-methoxycyclobut-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3-methoxycyclobut-2-en-1-one is sourced from PubChem (CID 130028975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).