2,4,5-Trimethyl-2-phenyl-1,3-dioxolane

C12H16O2 — CID 221655

IUPAC2,4,5-trimethyl-2-phenyl-1,3-dioxolane
SMILESCC1C(OC(O1)(C)C2=CC=CC=C2)C
InChIInChI=1S/C12H16O2/c1-9-10(2)14-12(3,13-9)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyWMAYHUYATQWWQA-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.40
Rot. Bonds1

About 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane

2,4,5-Trimethyl-2-phenyl-1,3-dioxolane (PubChem CID 221655) has the molecular formula C12H16O2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,4,5-trimethyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2,4,5-Trimethyl-2-phenyl-1,3-dioxolane
PubChem CID221655
Molecular FormulaC12H16O2
Molecular Weight192.25 g/mol
Exact Mass192.12
IUPAC Name2,4,5-trimethyl-2-phenyl-1,3-dioxolane
SMILESCC1C(OC(O1)(C)C2=CC=CC=C2)C
InChIInChI=1S/C12H16O2/c1-9-10(2)14-12(3,13-9)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyWMAYHUYATQWWQA-UHFFFAOYSA-N
XLogP2.40
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity186

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane?
The IUPAC name of 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane (CID 221655) is 2,4,5-trimethyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane is CC1C(OC(O1)(C)C2=CC=CC=C2)C.
What is the InChIKey of 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane?
The InChIKey is WMAYHUYATQWWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-10(2)14-12(3,13-9)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane?
2,4,5-Trimethyl-2-phenyl-1,3-dioxolane has a molecular weight of 192.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-Trimethyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 221655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).