2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane

C14H20O2 — CID 68727873

IUPAC2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane
SMILESCC(C)(C)Cc1cccc(C2OCCO2)c1
InChIInChI=1S/C14H20O2/c1-14(2,3)10-11-5-4-6-12(9-11)13-15-7-8-16-13/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyVEYAYPBQVPMEOY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.32
Rot. Bonds2

About 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane

2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane (PubChem CID 68727873) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane
PubChem CID68727873
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane
SMILESCC(C)(C)Cc1cccc(C2OCCO2)c1
InChIInChI=1S/C14H20O2/c1-14(2,3)10-11-5-4-6-12(9-11)13-15-7-8-16-13/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyVEYAYPBQVPMEOY-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane (CID 68727873) is 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane is CC(C)(C)Cc1cccc(C2OCCO2)c1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane?
The InChIKey is VEYAYPBQVPMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,3)10-11-5-4-6-12(9-11)13-15-7-8-16-13/h4-6,9,13H,7-8,10H2,1-3H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane?
2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane has a molecular weight of 220.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 68727873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).