2-ethylidene-3-methylideneoxan-4-one

C8H10O2 — CID 123160328

IUPAC2-ethylidene-3-methylideneoxan-4-one
SMILESC=C1C(=O)CCOC1=CC
InChIInChI=1S/C8H10O2/c1-3-8-6(2)7(9)4-5-10-8/h3H,2,4-5H2,1H3
InChIKeyJQFXNIYBBCFDEU-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds

About 2-ethylidene-3-methylideneoxan-4-one

2-ethylidene-3-methylideneoxan-4-one (PubChem CID 123160328) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethylidene-3-methylideneoxan-4-one.

Molecular Properties

Compound Name2-ethylidene-3-methylideneoxan-4-one
PubChem CID123160328
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-ethylidene-3-methylideneoxan-4-one
SMILESC=C1C(=O)CCOC1=CC
InChIInChI=1S/C8H10O2/c1-3-8-6(2)7(9)4-5-10-8/h3H,2,4-5H2,1H3
InChIKeyJQFXNIYBBCFDEU-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,3Z)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxan-4-one
CID 134289756
3-Ethoxymethyl-5,6-dimethylbenzo-1,4-quinone
CID 129853872
2-Methyl-4-methylidene-3-propan-2-yloxycyclobut-2-en-1-one
CID 130031216
3,6,7-trimethyl-1H-isochromene-5,8-dione
CID 134867323
1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethanone
CID 21712114
1-(4-acetyl-2H-pyran-3-yl)ethanone
CID 57314970
2H-pyran-3-yl(2H-pyran-5-yl)methanone
CID 67720895
1-(6-methyl-2H-pyran-3-yl)ethanone
CID 90116294
3-(1-Ethoxyethenyl)pent-3-en-2-one
CID 90924740
(3Z)-3-(1-ethoxyethylidene)oxan-4-one
CID 123581280
2-Ethenyl-4-ethylidene-3-methoxycyclobut-2-en-1-one
CID 123995231
(2E,3E)-5-bromo-2,3-di(ethylidene)oxan-4-one
CID 132093047

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3-methylideneoxan-4-one?
The IUPAC name of 2-ethylidene-3-methylideneoxan-4-one (CID 123160328) is 2-ethylidene-3-methylideneoxan-4-one.
What is the SMILES notation for 2-ethylidene-3-methylideneoxan-4-one?
The canonical SMILES for 2-ethylidene-3-methylideneoxan-4-one is C=C1C(=O)CCOC1=CC.
What is the InChIKey of 2-ethylidene-3-methylideneoxan-4-one?
The InChIKey is JQFXNIYBBCFDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-8-6(2)7(9)4-5-10-8/h3H,2,4-5H2,1H3.
What are the key properties of 2-ethylidene-3-methylideneoxan-4-one?
2-ethylidene-3-methylideneoxan-4-one has a molecular weight of 138.17 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-methylideneoxan-4-one is sourced from PubChem (CID 123160328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).