2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole

C15H22O2 — CID 59480293

IUPAC2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole
SMILESCC(C)c1cc2c(cc1C(C)C)OC(C)(C)O2
InChIInChI=1S/C15H22O2/c1-9(2)11-7-13-14(8-12(11)10(3)4)17-15(5,6)16-13/h7-10H,1-6H3
InChIKeyDHBSAYHNZMPISL-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.44
Rot. Bonds2

About 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole

2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole (PubChem CID 59480293) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole
PubChem CID59480293
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole
SMILESCC(C)c1cc2c(cc1C(C)C)OC(C)(C)O2
InChIInChI=1S/C15H22O2/c1-9(2)11-7-13-14(8-12(11)10(3)4)17-15(5,6)16-13/h7-10H,1-6H3
InChIKeyDHBSAYHNZMPISL-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole?
The IUPAC name of 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole (CID 59480293) is 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole.
What is the SMILES notation for 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole?
The canonical SMILES for 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole is CC(C)c1cc2c(cc1C(C)C)OC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole?
The InChIKey is DHBSAYHNZMPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)11-7-13-14(8-12(11)10(3)4)17-15(5,6)16-13/h7-10H,1-6H3.
What are the key properties of 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole?
2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole has a molecular weight of 234.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole is sourced from PubChem (CID 59480293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).