1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane

C15H22F2O — CID 143799471

IUPAC1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane
SMILESCCOC(=C/C=C/C1CCC(C)CC1)/C(F)=C/F
InChIInChI=1S/C15H22F2O/c1-3-18-15(14(17)11-16)6-4-5-13-9-7-12(2)8-10-13/h4-6,11-13H,3,7-10H2,1-2H3/b5-4+,14-11-,15-6+
InChIKeyDJDYFCZGCKMRGK-FXOAVRTISA-N
MW256.34 g/mol
LogP5.07
Rot. Bonds5

About 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane

1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane (PubChem CID 143799471) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane
PubChem CID143799471
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane
SMILESCCOC(=C/C=C/C1CCC(C)CC1)/C(F)=C/F
InChIInChI=1S/C15H22F2O/c1-3-18-15(14(17)11-16)6-4-5-13-9-7-12(2)8-10-13/h4-6,11-13H,3,7-10H2,1-2H3/b5-4+,14-11-,15-6+
InChIKeyDJDYFCZGCKMRGK-FXOAVRTISA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-[[(1Z,3E,5E)-1,2-difluoro-6-[(4-methylcyclohexyl)methoxy]hexa-1,3,5-trien-3-yl]oxymethyl]cyclohexyl]-4-ethenylcyclohexane
CID 143291798
(E)-3-(4-methylcyclohexyl)prop-2-enal
CID 79331612
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane
CID 144714635
2-fluoro-5-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]penta-2,4-dienenitrile
CID 54229419
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 138493538
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437
ethyl 2,2-difluoro-3-(4-methylcyclohexyl)-3-oxopropanoate
CID 62394136
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane?
The IUPAC name of 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane (CID 143799471) is 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane?
The canonical SMILES for 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane is CCOC(=C/C=C/C1CCC(C)CC1)/C(F)=C/F.
What is the InChIKey of 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane?
The InChIKey is DJDYFCZGCKMRGK-FXOAVRTISA-N. The full InChI is InChI=1S/C15H22F2O/c1-3-18-15(14(17)11-16)6-4-5-13-9-7-12(2)8-10-13/h4-6,11-13H,3,7-10H2,1-2H3/b5-4+,14-11-,15-6+.
What are the key properties of 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane?
1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane has a molecular weight of 256.34 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane is sourced from PubChem (CID 143799471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).