4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane

C14H21FO2 — CID 176701504

IUPAC4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane
SMILESC=C(F)/C=C(/OC1CCOCC1)C(=C)C(C)C
InChIInChI=1S/C14H21FO2/c1-10(2)12(4)14(9-11(3)15)17-13-5-7-16-8-6-13/h9-10,13H,3-8H2,1-2H3/b14-9+
InChIKeyWYNMDFZZOMEENT-NTEUORMPSA-N
MW240.32 g/mol
LogP3.76
Rot. Bonds5

About 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane

4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane (PubChem CID 176701504) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane.

Molecular Properties

Compound Name4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane
PubChem CID176701504
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane
SMILESC=C(F)/C=C(/OC1CCOCC1)C(=C)C(C)C
InChIInChI=1S/C14H21FO2/c1-10(2)12(4)14(9-11(3)15)17-13-5-7-16-8-6-13/h9-10,13H,3-8H2,1-2H3/b14-9+
InChIKeyWYNMDFZZOMEENT-NTEUORMPSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.76
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'}

Analyze 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane 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

oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
CID 91201551
oxan-4-yl 2-(dimethylamino)-3-methylbutanoate
CID 170248516
oxan-4-yl (2S)-2-(chloroamino)propanoate
CID 156835957
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
cyclopropane;oxan-4-yl acetate
CID 69401848
oxan-4-yl 2-methylidenepentanoate
CID 162744191
3-methyl-1-(oxan-4-yloxy)butan-2-one
CID 79396131
CID 59303812
CID 59303812
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613
(1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine
CID 163861334
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266
(2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine
CID 89209488

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane?
The IUPAC name of 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane (CID 176701504) is 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane.
What is the SMILES notation for 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane?
The canonical SMILES for 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane is C=C(F)/C=C(/OC1CCOCC1)C(=C)C(C)C.
What is the InChIKey of 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane?
The InChIKey is WYNMDFZZOMEENT-NTEUORMPSA-N. The full InChI is InChI=1S/C14H21FO2/c1-10(2)12(4)14(9-11(3)15)17-13-5-7-16-8-6-13/h9-10,13H,3-8H2,1-2H3/b14-9+.
What are the key properties of 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane?
4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane has a molecular weight of 240.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane is sourced from PubChem (CID 176701504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).