6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran

C13H19FO — CID 123440132

IUPAC6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESC=CC(CC)=C(F)C1=C(C)CCC(C)O1
InChIInChI=1S/C13H19FO/c1-5-11(6-2)12(14)13-9(3)7-8-10(4)15-13/h5,10H,1,6-8H2,2-4H3
InChIKeySZGYAHZNEVMOPL-UHFFFAOYSA-N
MW210.29 g/mol
LogP4.28
Rot. Bonds3

About 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran

6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 123440132) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID123440132
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
SMILESC=CC(CC)=C(F)C1=C(C)CCC(C)O1
InChIInChI=1S/C13H19FO/c1-5-11(6-2)12(14)13-9(3)7-8-10(4)15-13/h5,10H,1,6-8H2,2-4H3
InChIKeySZGYAHZNEVMOPL-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434
(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
CID 57051616
5-Butoxy-6-fluoro-2-methylcyclohexa-1,3-diene
CID 68274748
5-[(E)-2-fluoroethenyl]-6-[(Z)-1-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070342
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
3-[(3E,5E)-5-(bromomethyl)hepta-3,5-dien-3-yl]oxy-6-fluorocyclohexene
CID 89093933
5-Ethoxy-1-(fluoromethyl)cyclohexa-1,3-diene
CID 89153602
2-Fluoro-1-[1-(4-iodo-3-methylbutan-2-yl)oxyethyl]cyclohexa-1,3-diene
CID 89160348
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran (CID 123440132) is 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran is C=CC(CC)=C(F)C1=C(C)CCC(C)O1.
What is the InChIKey of 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is SZGYAHZNEVMOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-5-11(6-2)12(14)13-9(3)7-8-10(4)15-13/h5,10H,1,6-8H2,2-4H3.
What are the key properties of 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran?
6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 210.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1-fluorobuta-1,3-dienyl)-2,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 123440132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).