3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane

C14H17FO — CID 123415534

IUPAC3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane
SMILESC=C(C=C1CCCOC1=C)C(=C)C(F)=CC
InChIInChI=1S/C14H17FO/c1-5-14(15)11(3)10(2)9-13-7-6-8-16-12(13)4/h5,9H,2-4,6-8H2,1H3
InChIKeyIQAVLMNVTRAUBM-UHFFFAOYSA-N
MW220.29 g/mol
LogP4.22
Rot. Bonds3

About 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane

3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane (PubChem CID 123415534) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane.

Molecular Properties

Compound Name3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane
PubChem CID123415534
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane
SMILESC=C(C=C1CCCOC1=C)C(=C)C(F)=CC
InChIInChI=1S/C14H17FO/c1-5-14(15)11(3)10(2)9-13-7-6-8-16-12(13)4/h5,9H,2-4,6-8H2,1H3
InChIKeyIQAVLMNVTRAUBM-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.22
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-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-(1-Butoxyethenyl)cyclopentene
CID 14296313
2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
5-Butoxy-6-fluoro-2-methylcyclohexa-1,3-diene
CID 68274748
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
1-Ethoxy-4,5-difluoro-6-methylidenecyclohexa-1,3-diene
CID 89020439
5-Ethoxy-1-(fluoromethyl)cyclohexa-1,3-diene
CID 89153602
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
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247362
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 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane?
The IUPAC name of 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane (CID 123415534) is 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane.
What is the SMILES notation for 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane?
The canonical SMILES for 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane is C=C(C=C1CCCOC1=C)C(=C)C(F)=CC.
What is the InChIKey of 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane?
The InChIKey is IQAVLMNVTRAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-5-14(15)11(3)10(2)9-13-7-6-8-16-12(13)4/h5,9H,2-4,6-8H2,1H3.
What are the key properties of 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane?
3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane has a molecular weight of 220.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane is sourced from PubChem (CID 123415534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).