4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane

C16H25FO2 — CID 123801205

IUPAC4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane
SMILESC=CC=C(OC1CCOCC1)C(=C)C(C)CC(C)F
InChIInChI=1S/C16H25FO2/c1-5-6-16(14(4)12(2)11-13(3)17)19-15-7-9-18-10-8-15/h5-6,12-13,15H,1,4,7-11H2,2-3H3
InChIKeyRRAFNQUONMPGBH-UHFFFAOYSA-N
MW268.37 g/mol
LogP4.19
Rot. Bonds7

About 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane

4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane (PubChem CID 123801205) has the molecular formula C16H25FO2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane.

Molecular Properties

Compound Name4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane
PubChem CID123801205
Molecular FormulaC16H25FO2
Molecular Weight268.37 g/mol
Exact Mass268.18
IUPAC Name4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane
SMILESC=CC=C(OC1CCOCC1)C(=C)C(C)CC(C)F
InChIInChI=1S/C16H25FO2/c1-5-6-16(14(4)12(2)11-13(3)17)19-15-7-9-18-10-8-15/h5-6,12-13,15H,1,4,7-11H2,2-3H3
InChIKeyRRAFNQUONMPGBH-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-Ethylpentoxy)ethyl]-5-fluoro-4-(fluoromethyl)cyclohexa-1,3-diene
CID 70950800
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 89259496
(1E,2E)-1-[(3E,5Z,7Z,9E)-6-butan-2-yl-5-ethoxy-9-(fluoromethylidene)-3,4,7-trimethyl-8-propoxydodeca-3,5,7-trien-2-ylidene]-2-[(3E)-3,5,6-trimethylhepta-3,5-dien-2-ylidene]cyclohexane
CID 139514770
(3Z,7Z,11E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11-tetraene
CID 143772832
5-[difluoro-[(3E,7Z,11Z)-4,11,12-trifluoro-13-methoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-yl]oxymethyl]-2-methyloxane
CID 143772901
2-ethenyl-5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]oxane
CID 143889269
5-[[4-[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]cyclohexa-1,3-dien-1-yl]oxymethyl]-2-ethenyloxane
CID 143889335
5-[[(6Z,8Z)-6-ethyl-7,8-difluoro-9-methoxy-5-methyldeca-6,8-dien-2-yl]oxymethyl]-2-[(E)-prop-1-enyl]oxane
CID 143889350
2-ethenyl-5-[[(3E,5E,7Z,9Z)-7-ethyl-8,9-difluoro-10-methoxy-6-methylundeca-3,5,7,9-tetraen-3-yl]oxymethyl]oxane
CID 143889646
2-ethenyl-5-[(4Z,6Z)-6,7,10,11-tetrafluoro-8,9-dimethylidenecycloundeca-1,4,6,10-tetraen-1-yl]oxane
CID 173796472

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane?
The IUPAC name of 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane (CID 123801205) is 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane.
What is the SMILES notation for 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane?
The canonical SMILES for 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane is C=CC=C(OC1CCOCC1)C(=C)C(C)CC(C)F.
What is the InChIKey of 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane?
The InChIKey is RRAFNQUONMPGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO2/c1-5-6-16(14(4)12(2)11-13(3)17)19-15-7-9-18-10-8-15/h5-6,12-13,15H,1,4,7-11H2,2-3H3.
What are the key properties of 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane?
4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane has a molecular weight of 268.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-6-methyl-5-methylidenenona-1,3-dien-4-yl)oxyoxane is sourced from PubChem (CID 123801205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).