5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane

C28H38O2 — CID 70408940

IUPAC5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
SMILESCCCc1ccc(-c2ccc(C3OCC(C4CCC(CCC)CC4)CO3)cc2)cc1
InChIInChI=1S/C28H38O2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-29-19-27(20-30-28)25-13-9-22(6-4-2)10-14-25/h7-8,11-12,15-18,22,25,27-28H,3-6,9-10,13-14,19-20H2,1-2H3
InChIKeyDGZAEPGFCACHDV-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.57
Rot. Bonds7

About 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane

5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane (PubChem CID 70408940) has the molecular formula C28H38O2 and a molecular weight of 406.61 g/mol. Its IUPAC name is 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane.

Molecular Properties

Compound Name5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
PubChem CID70408940
Molecular FormulaC28H38O2
Molecular Weight406.61 g/mol
Exact Mass406.29
IUPAC Name5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
SMILESCCCc1ccc(-c2ccc(C3OCC(C4CCC(CCC)CC4)CO3)cc2)cc1
InChIInChI=1S/C28H38O2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-29-19-27(20-30-28)25-13-9-22(6-4-2)10-14-25/h7-8,11-12,15-18,22,25,27-28H,3-6,9-10,13-14,19-20H2,1-2H3
InChIKeyDGZAEPGFCACHDV-UHFFFAOYSA-N
XLogP7.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
5-propyl-2-[4-[4-(4-propylcyclohexyl)but-3-enyl]phenyl]-1,3-dioxane
CID 56627238
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540
2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980841
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
5-pentyl-2-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1-benzofuran
CID 86051244

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane?
The IUPAC name of 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane (CID 70408940) is 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane.
What is the SMILES notation for 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane?
The canonical SMILES for 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane is CCCc1ccc(-c2ccc(C3OCC(C4CCC(CCC)CC4)CO3)cc2)cc1.
What is the InChIKey of 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane?
The InChIKey is DGZAEPGFCACHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-29-19-27(20-30-28)25-13-9-22(6-4-2)10-14-25/h7-8,11-12,15-18,22,25,27-28H,3-6,9-10,13-14,19-20H2,1-2H3.
What are the key properties of 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane?
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane has a molecular weight of 406.61 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane is sourced from PubChem (CID 70408940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).