5,6-bis(ethenyl)-4H-pyran-3-one;ethane

C11H16O2 — CID 143059986

IUPAC5,6-bis(ethenyl)-4H-pyran-3-one;ethane
SMILESC=CC1=C(C=C)OCC(=O)C1.CC
InChIInChI=1S/C9H10O2.C2H6/c1-3-7-5-8(10)6-11-9(7)4-2;1-2/h3-4H,1-2,5-6H2;1-2H3
InChIKeyYXQNNTZMZXSKEA-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds2

About 5,6-bis(ethenyl)-4H-pyran-3-one;ethane

5,6-bis(ethenyl)-4H-pyran-3-one;ethane (PubChem CID 143059986) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4H-pyran-3-one;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4H-pyran-3-one;ethane
PubChem CID143059986
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5,6-bis(ethenyl)-4H-pyran-3-one;ethane
SMILESC=CC1=C(C=C)OCC(=O)C1.CC
InChIInChI=1S/C9H10O2.C2H6/c1-3-7-5-8(10)6-11-9(7)4-2;1-2/h3-4H,1-2,5-6H2;1-2H3
InChIKeyYXQNNTZMZXSKEA-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

Analyze 5,6-bis(ethenyl)-4H-pyran-3-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dihydrochromen-6-id-3-one
CID 58490936
1-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanone
CID 66971106
5-[(Z)-prop-1-enyl]-6-propyl-4H-pyran-3-one
CID 89661890
(2E,7E)-3,8-dimethoxy-5,6-dimethylidenedeca-2,7,9-trien-4-one
CID 123563592
1-(3-methyl-2H-pyran-2-yl)ethanone
CID 141173110
5,6-bis(ethenyl)-3,4-dihydro-2H-pyran-2-carbaldehyde;ethane
CID 142233534
3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one
CID 142279321
1-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 143537901
1-(4-Methylidenecyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 151524947
2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one
CID 163720950
2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one
CID 163768083
5,6-Bis(ethenyl)-2,3-dihydropyran-4-one;ethane
CID 164603581

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4H-pyran-3-one;ethane?
The IUPAC name of 5,6-bis(ethenyl)-4H-pyran-3-one;ethane (CID 143059986) is 5,6-bis(ethenyl)-4H-pyran-3-one;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-4H-pyran-3-one;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-4H-pyran-3-one;ethane is C=CC1=C(C=C)OCC(=O)C1.CC.
What is the InChIKey of 5,6-bis(ethenyl)-4H-pyran-3-one;ethane?
The InChIKey is YXQNNTZMZXSKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C2H6/c1-3-7-5-8(10)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)-4H-pyran-3-one;ethane?
5,6-bis(ethenyl)-4H-pyran-3-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)-4H-pyran-3-one;ethane is sourced from PubChem (CID 143059986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).