1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane

C16H26F2O2 — CID 144714635

IUPAC1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane
SMILESC/C=C(F)\C(F)=C(/COCC1CCC(C)CC1)OCC
InChIInChI=1S/C16H26F2O2/c1-4-14(17)16(18)15(20-5-2)11-19-10-13-8-6-12(3)7-9-13/h4,12-13H,5-11H2,1-3H3/b14-4+,16-15-
InChIKeyGZLSVYMFSSYTJC-YDMLXHLBSA-N
MW288.38 g/mol
LogP4.92
Rot. Bonds7

About 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane

1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane (PubChem CID 144714635) has the molecular formula C16H26F2O2 and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane
PubChem CID144714635
Molecular FormulaC16H26F2O2
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane
SMILESC/C=C(F)\C(F)=C(/COCC1CCC(C)CC1)OCC
InChIInChI=1S/C16H26F2O2/c1-4-14(17)16(18)15(20-5-2)11-19-10-13-8-6-12(3)7-9-13/h4,12-13H,5-11H2,1-3H3/b14-4+,16-15-
InChIKeyGZLSVYMFSSYTJC-YDMLXHLBSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.92
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-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437
1-[[(3Z)-3,4-difluoro-5-[(4-methylcyclohexyl)methoxy]hexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane;ethane
CID 143291818
1-O-ethyl 3-O-[[4-[2-[(4-methylcyclohexyl)methoxycarbonyl]prop-2-enoyloxymethyl]cyclohexyl]methyl] 2-methylidenepropanedioate
CID 130278851
1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane
CID 143799471
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
ethane;ethoxymethylcyclohexane;methylcyclohexane
CID 158421123
1-(fluoromethyl)-4-methylcyclohexane
CID 20579841
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359
1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
CID 137428589
1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]peroxymethyl]cyclohexane
CID 59638890

Frequently Asked Questions

What is the IUPAC name of 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane?
The IUPAC name of 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane (CID 144714635) is 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane?
The canonical SMILES for 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane is C/C=C(F)\C(F)=C(/COCC1CCC(C)CC1)OCC.
What is the InChIKey of 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane?
The InChIKey is GZLSVYMFSSYTJC-YDMLXHLBSA-N. The full InChI is InChI=1S/C16H26F2O2/c1-4-14(17)16(18)15(20-5-2)11-19-10-13-8-6-12(3)7-9-13/h4,12-13H,5-11H2,1-3H3/b14-4+,16-15-.
What are the key properties of 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane?
1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane has a molecular weight of 288.38 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2Z,4E)-2-ethoxy-3,4-difluorohexa-2,4-dienoxy]methyl]-4-methylcyclohexane is sourced from PubChem (CID 144714635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).