2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane

C22H34F2O3 — CID 143889301

IUPAC2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane
SMILESC=CC1CCC(C2CCC(CO/C(CC)=C(F)/C(F)=C(\C)OC)CC2)OC1
InChIInChI=1S/C22H34F2O3/c1-5-16-9-12-20(27-13-16)18-10-7-17(8-11-18)14-26-19(6-2)22(24)21(23)15(3)25-4/h5,16-18,20H,1,6-14H2,2-4H3/b21-15-,22-19-
InChIKeyCFMOJZIQTVQOFV-HTZDQEQBSA-N
MW384.51 g/mol
LogP6.23
Rot. Bonds8

About 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane

2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane (PubChem CID 143889301) has the molecular formula C22H34F2O3 and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane.

Molecular Properties

Compound Name2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane
PubChem CID143889301
Molecular FormulaC22H34F2O3
Molecular Weight384.51 g/mol
Exact Mass384.25
IUPAC Name2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane
SMILESC=CC1CCC(C2CCC(CO/C(CC)=C(F)/C(F)=C(\C)OC)CC2)OC1
InChIInChI=1S/C22H34F2O3/c1-5-16-9-12-20(27-13-16)18-10-7-17(8-11-18)14-26-19(6-2)22(24)21(23)15(3)25-4/h5,16-18,20H,1,6-14H2,2-4H3/b21-15-,22-19-
InChIKeyCFMOJZIQTVQOFV-HTZDQEQBSA-N
XLogP6.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(1E)-hexa-1,5-dienyl]oxane
CID 20599589
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599591
2-[4-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]butyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599667
2-[4-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]cyclohexyl]butyl]-5-[(E)-prop-1-enyl]oxane
CID 20599668
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599686
2-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]butyl]-5-[4-[(E)-pent-1-enyl]cyclohexyl]oxane
CID 20599693
2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-5-[(E)-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]oxane
CID 20599714
2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]butyl]oxane
CID 20599715
5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane
CID 20599858
5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599892
5-[4-(2,2-difluoroethenyl)cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 20599921

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane?
The IUPAC name of 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane (CID 143889301) is 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane.
What is the SMILES notation for 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane?
The canonical SMILES for 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane is C=CC1CCC(C2CCC(CO/C(CC)=C(F)/C(F)=C(\C)OC)CC2)OC1.
What is the InChIKey of 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane?
The InChIKey is CFMOJZIQTVQOFV-HTZDQEQBSA-N. The full InChI is InChI=1S/C22H34F2O3/c1-5-16-9-12-20(27-13-16)18-10-7-17(8-11-18)14-26-19(6-2)22(24)21(23)15(3)25-4/h5,16-18,20H,1,6-14H2,2-4H3/b21-15-,22-19-.
What are the key properties of 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane?
2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane has a molecular weight of 384.51 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-5-ethenyloxane is sourced from PubChem (CID 143889301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).