2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane

C24H38O2 — CID 56983975

IUPAC2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane
SMILESCCCCC1CCC(c2ccc(C3COC(CCCC)CO3)cc2)CC1
InChIInChI=1S/C24H38O2/c1-3-5-7-19-9-11-20(12-10-19)21-13-15-22(16-14-21)24-18-25-23(17-26-24)8-6-4-2/h13-16,19-20,23-24H,3-12,17-18H2,1-2H3
InChIKeyQDGKOMZKRPVRFZ-UHFFFAOYSA-N
MW358.57 g/mol
LogP6.80
Rot. Bonds8

About 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane

2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane (PubChem CID 56983975) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane
PubChem CID56983975
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane
SMILESCCCCC1CCC(c2ccc(C3COC(CCCC)CO3)cc2)CC1
InChIInChI=1S/C24H38O2/c1-3-5-7-19-9-11-20(12-10-19)21-13-15-22(16-14-21)24-18-25-23(17-26-24)8-6-4-2/h13-16,19-20,23-24H,3-12,17-18H2,1-2H3
InChIKeyQDGKOMZKRPVRFZ-UHFFFAOYSA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-butylcyclohexyl)phenyl]-5-propyl-1,4-dioxane
CID 57286357
2-hexyl-5-[4-(4-pentylcyclohexyl)phenyl]-1,4-dioxane
CID 56990135
(2R,5S)-2-butyl-5-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]-1,4-dioxane
CID 70419032
(2R,5S)-2-butyl-5-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-1,4-dioxane
CID 70419534
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
2-butyl-5-(4-propoxyphenyl)-1,4-dioxane
CID 56985912
(2R,5S)-2-(4-ethylphenyl)-5-hexyl-1,4-dioxane
CID 54540490
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
pentakis(4-(4-butylcyclohexyl)benzenethiol);pentahydrofluoride
CID 173376062
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
(2S,5R)-2-[4-(4-butylphenyl)phenyl]-5-hexyl-1,4-dioxane
CID 70419259
(2R,5S)-2-[4-(4-butylphenyl)phenyl]-5-heptyl-1,4-dioxane
CID 54258152

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane?
The IUPAC name of 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane (CID 56983975) is 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane.
What is the SMILES notation for 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane?
The canonical SMILES for 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane is CCCCC1CCC(c2ccc(C3COC(CCCC)CO3)cc2)CC1.
What is the InChIKey of 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane?
The InChIKey is QDGKOMZKRPVRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-3-5-7-19-9-11-20(12-10-19)21-13-15-22(16-14-21)24-18-25-23(17-26-24)8-6-4-2/h13-16,19-20,23-24H,3-12,17-18H2,1-2H3.
What are the key properties of 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane?
2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane has a molecular weight of 358.57 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[4-(4-butylcyclohexyl)phenyl]-1,4-dioxane is sourced from PubChem (CID 56983975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).