2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine

C14H20O2 — CID 166819629

IUPAC2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1cccc2c1OCC(C(C)C)O2
InChIInChI=1S/C14H20O2/c1-9(2)11-6-5-7-12-14(11)15-8-13(16-12)10(3)4/h5-7,9-10,13H,8H2,1-4H3
InChIKeyPMLFOZDATOJVKE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.61
Rot. Bonds2

About 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine

2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 166819629) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine
PubChem CID166819629
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1cccc2c1OCC(C(C)C)O2
InChIInChI=1S/C14H20O2/c1-9(2)11-6-5-7-12-14(11)15-8-13(16-12)10(3)4/h5-7,9-10,13H,8H2,1-4H3
InChIKeyPMLFOZDATOJVKE-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine (CID 166819629) is 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine is CC(C)c1cccc2c1OCC(C(C)C)O2.
What is the InChIKey of 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is PMLFOZDATOJVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)11-6-5-7-12-14(11)15-8-13(16-12)10(3)4/h5-7,9-10,13H,8H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine?
2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 220.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 166819629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).