4,5-dimethyl-1,3-dioxolane;1,2-xylene

C13H20O2 — CID 158261825

IUPAC4,5-dimethyl-1,3-dioxolane;1,2-xylene
SMILESCC1OCOC1C.Cc1ccccc1C
InChIInChI=1S/C8H10.C5H10O2/c1-7-5-3-4-6-8(7)2;1-4-5(2)7-3-6-4/h3-6H,1-2H3;4-5H,3H2,1-2H3
InChIKeyGHYPGLBUVDIAEY-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.07
Rot. Bonds

About 4,5-dimethyl-1,3-dioxolane;1,2-xylene

4,5-dimethyl-1,3-dioxolane;1,2-xylene (PubChem CID 158261825) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-dioxolane;1,2-xylene.

Molecular Properties

Compound Name4,5-dimethyl-1,3-dioxolane;1,2-xylene
PubChem CID158261825
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4,5-dimethyl-1,3-dioxolane;1,2-xylene
SMILESCC1OCOC1C.Cc1ccccc1C
InChIInChI=1S/C8H10.C5H10O2/c1-7-5-3-4-6-8(7)2;1-4-5(2)7-3-6-4/h3-6H,1-2H3;4-5H,3H2,1-2H3
InChIKeyGHYPGLBUVDIAEY-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
sodium;hydride;1,2-xylene
CID 173009635
azane;1,2-xylene;hydrate
CID 158522930
ethane;methane;pentakis(1,2-xylene)
CID 158909718

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-dioxolane;1,2-xylene?
The IUPAC name of 4,5-dimethyl-1,3-dioxolane;1,2-xylene (CID 158261825) is 4,5-dimethyl-1,3-dioxolane;1,2-xylene.
What is the SMILES notation for 4,5-dimethyl-1,3-dioxolane;1,2-xylene?
The canonical SMILES for 4,5-dimethyl-1,3-dioxolane;1,2-xylene is CC1OCOC1C.Cc1ccccc1C.
What is the InChIKey of 4,5-dimethyl-1,3-dioxolane;1,2-xylene?
The InChIKey is GHYPGLBUVDIAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H10O2/c1-7-5-3-4-6-8(7)2;1-4-5(2)7-3-6-4/h3-6H,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-dioxolane;1,2-xylene?
4,5-dimethyl-1,3-dioxolane;1,2-xylene has a molecular weight of 208.30 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-dioxolane;1,2-xylene is sourced from PubChem (CID 158261825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).