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

C10H12O2 — CID 142586691

IUPAC5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one
SMILESC=CC1=C(C=C)C(=O)CC(C)O1
InChIInChI=1S/C10H12O2/c1-4-8-9(11)6-7(3)12-10(8)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyRTELSWBKEGJXAF-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.99
Rot. Bonds2

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

5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one (PubChem CID 142586691) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one
PubChem CID142586691
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one
SMILESC=CC1=C(C=C)C(=O)CC(C)O1
InChIInChI=1S/C10H12O2/c1-4-8-9(11)6-7(3)12-10(8)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyRTELSWBKEGJXAF-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Butanoyl-4-methoxy-6-methylpyran-2-one
CID 71524172
2,3-dihydro-2,3,5-trimethyl-6-(1-methyl-1-butenyl)-4H-pyran-4-one
CID 14477211
3,8-Dihydro-2-methylchromone
CID 129830590
(2E,3E)-6-(difluoromethyl)-2,3-di(ethylidene)oxan-4-one
CID 89609698
6-butyl-5-[(E)-2-fluoroethenyl]-2,3-dihydropyran-4-one
CID 91324959
1-[(5Z,6E)-5,6-di(ethylidene)-2-(trifluoromethyl)-2H-pyran-3-yl]propan-1-one
CID 126497400
(2Z,3Z)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxan-4-one
CID 134289756
5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 24829035
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
6-[(E)-but-1-enyl]-2,3,5-trimethyl-2,3-dihydropyran-4-one
CID 21286950
2,3-dihydro-2,3,5-trimethyl-6-(3-methyl-1-propenyl)-4H-pyran-4-one
CID 53841034

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one?
The IUPAC name of 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one (CID 142586691) is 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one is C=CC1=C(C=C)C(=O)CC(C)O1.
What is the InChIKey of 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one?
The InChIKey is RTELSWBKEGJXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-8-9(11)6-7(3)12-10(8)5-2/h4-5,7H,1-2,6H2,3H3.
What are the key properties of 5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one?
5,6-bis(ethenyl)-2-methyl-2,3-dihydropyran-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.99, 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-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 142586691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).