2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane

C14H20O2 — CID 163509320

IUPAC2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane
SMILESCc1ccc(C2(C)COC(C)(C)CO2)cc1
InChIInChI=1S/C14H20O2/c1-11-5-7-12(8-6-11)14(4)10-15-13(2,3)9-16-14/h5-8H,9-10H2,1-4H3
InChIKeyDBHXYEFLSIEHQP-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.04
Rot. Bonds1

About 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane

2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane (PubChem CID 163509320) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane.

Molecular Properties

Compound Name2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane
PubChem CID163509320
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane
SMILESCc1ccc(C2(C)COC(C)(C)CO2)cc1
InChIInChI=1S/C14H20O2/c1-11-5-7-12(8-6-11)14(4)10-15-13(2,3)9-16-14/h5-8H,9-10H2,1-4H3
InChIKeyDBHXYEFLSIEHQP-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane
CID 146305548
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
2,2-bis(4-methylphenyl)oxirane
CID 12692604
2-methyl-2-(4-methylphenyl)oxane
CID 132966146
2-(4-isocyanophenyl)-2-methyloxirane
CID 123674399
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane;2-[4-(oxiran-2-yl)phenyl]oxirane
CID 146305547
2-(4-ethylsulfanylphenyl)-2-methyloxirane
CID 82469117
(4R)-4-iodo-2-methyl-2-(4-methylphenyl)oxane
CID 101398693
2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane
CID 66751710
3-methyl-3-(4-methylphenyl)-4H-isochromen-1-one
CID 175365018

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane?
The IUPAC name of 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane (CID 163509320) is 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane.
What is the SMILES notation for 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane?
The canonical SMILES for 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane is Cc1ccc(C2(C)COC(C)(C)CO2)cc1.
What is the InChIKey of 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane?
The InChIKey is DBHXYEFLSIEHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-5-7-12(8-6-11)14(4)10-15-13(2,3)9-16-14/h5-8H,9-10H2,1-4H3.
What are the key properties of 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane?
2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane has a molecular weight of 220.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-(4-methylphenyl)-1,4-dioxane is sourced from PubChem (CID 163509320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).