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

C14H20O2 — CID 12658555

IUPAC2,4-di(propan-2-yl)-4H-1,3-benzodioxine
SMILESCC(C)C1Oc2ccccc2C(C(C)C)O1
InChIInChI=1S/C14H20O2/c1-9(2)13-11-7-5-6-8-12(11)15-14(16-13)10(3)4/h5-10,13-14H,1-4H3
InChIKeyURFBZONYAZIQQX-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.77
Rot. Bonds2

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

2,4-di(propan-2-yl)-4H-1,3-benzodioxine (PubChem CID 12658555) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-4H-1,3-benzodioxine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-4H-1,3-benzodioxine
PubChem CID12658555
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,4-di(propan-2-yl)-4H-1,3-benzodioxine
SMILESCC(C)C1Oc2ccccc2C(C(C)C)O1
InChIInChI=1S/C14H20O2/c1-9(2)13-11-7-5-6-8-12(11)15-14(16-13)10(3)4/h5-10,13-14H,1-4H3
InChIKeyURFBZONYAZIQQX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-4H-1,3-benzodioxine?
The IUPAC name of 2,4-di(propan-2-yl)-4H-1,3-benzodioxine (CID 12658555) is 2,4-di(propan-2-yl)-4H-1,3-benzodioxine.
What is the SMILES notation for 2,4-di(propan-2-yl)-4H-1,3-benzodioxine?
The canonical SMILES for 2,4-di(propan-2-yl)-4H-1,3-benzodioxine is CC(C)C1Oc2ccccc2C(C(C)C)O1.
What is the InChIKey of 2,4-di(propan-2-yl)-4H-1,3-benzodioxine?
The InChIKey is URFBZONYAZIQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)13-11-7-5-6-8-12(11)15-14(16-13)10(3)4/h5-10,13-14H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-4H-1,3-benzodioxine?
2,4-di(propan-2-yl)-4H-1,3-benzodioxine has a molecular weight of 220.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-4H-1,3-benzodioxine is sourced from PubChem (CID 12658555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).