2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane

C18H26F2O — CID 134447530

IUPAC2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane
SMILESC=C(/C(F)=C(F)\C=C/C)C1CCC(C2CCCCC2)OC1
InChIInChI=1S/C18H26F2O/c1-3-7-16(19)18(20)13(2)15-10-11-17(21-12-15)14-8-5-4-6-9-14/h3,7,14-15,17H,2,4-6,8-12H2,1H3/b7-3-,18-16-
InChIKeyCTOUZWBZYQQENT-IPEYMPNXSA-N
MW296.40 g/mol
LogP5.64
Rot. Bonds4

About 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane

2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane (PubChem CID 134447530) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane.

Molecular Properties

Compound Name2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane
PubChem CID134447530
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Name2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane
SMILESC=C(/C(F)=C(F)\C=C/C)C1CCC(C2CCCCC2)OC1
InChIInChI=1S/C18H26F2O/c1-3-7-16(19)18(20)13(2)15-10-11-17(21-12-15)14-8-5-4-6-9-14/h3,7,14-15,17H,2,4-6,8-12H2,1H3/b7-3-,18-16-
InChIKeyCTOUZWBZYQQENT-IPEYMPNXSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.64
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

6-Methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 2828531
4-[(E)-7-fluorohept-3-enyl]-1-[2-(4-methoxycyclohexyl)ethyl]cyclohexene
CID 19695409
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556
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-(5,5-difluoropent-4-enyl)cyclohexyl]-5-[(E)-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]oxane
CID 20599714
5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane
CID 20599858
5-[4-(2,2-difluoroethenyl)cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 20599921
1-Cyclohexyl-4-(5,5,5-trifluoro-4-octoxypent-1-enyl)cyclohexane
CID 53634914
4-(7-Fluorohept-3-enyl)-1-[2-(4-methoxycyclohexyl)ethyl]cyclohexene
CID 53775158
1-Cyclohexyl-4-(5,5,5-trifluoro-4-heptoxypent-1-enyl)cyclohexane
CID 53899437

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane?
The IUPAC name of 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane (CID 134447530) is 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane.
What is the SMILES notation for 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane?
The canonical SMILES for 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane is C=C(/C(F)=C(F)\C=C/C)C1CCC(C2CCCCC2)OC1.
What is the InChIKey of 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane?
The InChIKey is CTOUZWBZYQQENT-IPEYMPNXSA-N. The full InChI is InChI=1S/C18H26F2O/c1-3-7-16(19)18(20)13(2)15-10-11-17(21-12-15)14-8-5-4-6-9-14/h3,7,14-15,17H,2,4-6,8-12H2,1H3/b7-3-,18-16-.
What are the key properties of 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane?
2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane has a molecular weight of 296.40 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane is sourced from PubChem (CID 134447530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).