1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene

C26H37F3O — CID 19767143

IUPAC1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene
SMILESC=CCC(c1ccc(OC(F)(F)F)cc1)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C26H37F3O/c1-3-5-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25(6-4-2)23-15-17-24(18-16-23)30-26(27,28)29/h4,15-22,25H,2-3,5-14H2,1H3
InChIKeyYIRJGQLFTTWLEC-UHFFFAOYSA-N
MW422.58 g/mol
LogP8.66
Rot. Bonds8

About 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene

1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene (PubChem CID 19767143) has the molecular formula C26H37F3O and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene
PubChem CID19767143
Molecular FormulaC26H37F3O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene
SMILESC=CCC(c1ccc(OC(F)(F)F)cc1)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C26H37F3O/c1-3-5-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25(6-4-2)23-15-17-24(18-16-23)30-26(27,28)29/h4,15-22,25H,2-3,5-14H2,1H3
InChIKeyYIRJGQLFTTWLEC-UHFFFAOYSA-N
XLogP8.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-pentylcyclohexyl)but-3-enyl]-4-(trifluoromethoxy)benzene
CID 19767167
1-butoxy-4-[1-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 19767121
1-pentoxy-4-[1-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 19767132
1-chloro-4-[1-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 19767130
5-pentyl-2-[4-[1-(4-propylcyclohexyl)but-3-enyl]phenyl]-1,3-dioxane
CID 19767186
4-[1-(4-pentylcyclohexyl)but-3-enyl]benzoic acid
CID 19767116
1,2-difluoro-4-[1-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 19767183
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
CID 150456742
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
[4-[1-(4-pentylcyclohexyl)but-3-enyl]phenyl] 2,3-difluoro-4-octoxybenzoate
CID 67857218
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
1-[hydroperoxy-[4-(4-methylcyclohexyl)cyclohexyl]methyl]-4-(trifluoromethoxy)benzene;molecular hydrogen
CID 161210259

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene (CID 19767143) is 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene is C=CCC(c1ccc(OC(F)(F)F)cc1)C1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene?
The InChIKey is YIRJGQLFTTWLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F3O/c1-3-5-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25(6-4-2)23-15-17-24(18-16-23)30-26(27,28)29/h4,15-22,25H,2-3,5-14H2,1H3.
What are the key properties of 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene?
1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene has a molecular weight of 422.58 g/mol, XLogP of 8.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 19767143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).