5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane

C11H16O2 — CID 164603581

IUPAC5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane
SMILESC=CC1=C(C=C)C(=O)CCO1.CC
InChIInChI=1S/C9H10O2.C2H6/c1-3-7-8(10)5-6-11-9(7)4-2;1-2/h3-4H,1-2,5-6H2;1-2H3
InChIKeyZYSZWSLEIJAMFO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds2

About 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane

5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane (PubChem CID 164603581) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane
PubChem CID164603581
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane
SMILESC=CC1=C(C=C)C(=O)CCO1.CC
InChIInChI=1S/C9H10O2.C2H6/c1-3-7-8(10)5-6-11-9(7)4-2;1-2/h3-4H,1-2,5-6H2;1-2H3
InChIKeyZYSZWSLEIJAMFO-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one
CID 91324959
(2Z,3Z)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxan-4-one
CID 134289756
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
(E)-1-(5,6-dimethyl-2H-pyran-4-yl)-2-methyl-3-oxobut-1-en-1-olate
CID 138967151
2-Ethenyl-5-methoxycyclohexa-2,4-dien-1-one
CID 19702350
6-[(E)-but-1-enyl]-2,3,5-trimethyl-2,3-dihydropyran-4-one
CID 21286950
1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethanone
CID 21712114
2,3-dihydro-2,3,5-trimethyl-6-(3-methyl-1-propenyl)-4H-pyran-4-one
CID 53841034
1-(4-acetyl-2H-pyran-3-yl)ethanone
CID 57314970
1-[2-(1,4-Dioxin-2-yl)cyclohexa-1,5-dien-1-yl]ethanone
CID 67023123
2H-pyran-3-yl(2H-pyran-5-yl)methanone
CID 67720895

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane?
The IUPAC name of 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane (CID 164603581) is 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane is C=CC1=C(C=C)C(=O)CCO1.CC.
What is the InChIKey of 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane?
The InChIKey is ZYSZWSLEIJAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C2H6/c1-3-7-8(10)5-6-11-9(7)4-2;1-2/h3-4H,1-2,5-6H2;1-2H3.
What are the key properties of 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane?
5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane has a molecular weight of 180.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-2,3-dihydropyran-4-one;ethane is sourced from PubChem (CID 164603581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).