5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one

C15H20O4 — CID 71492686

IUPAC5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one
SMILESCC(C)(C)COc1cccc2c1C(=O)OC(C)(C)O2
InChIInChI=1S/C15H20O4/c1-14(2,3)9-17-10-7-6-8-11-12(10)13(16)19-15(4,5)18-11/h6-8H,9H2,1-5H3
InChIKeyWPBBHDUWQSAFIT-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.40
Rot. Bonds2

About 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one

5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one (PubChem CID 71492686) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one
PubChem CID71492686
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one
SMILESCC(C)(C)COc1cccc2c1C(=O)OC(C)(C)O2
InChIInChI=1S/C15H20O4/c1-14(2,3)9-17-10-7-6-8-11-12(10)13(16)19-15(4,5)18-11/h6-8H,9H2,1-5H3
InChIKeyWPBBHDUWQSAFIT-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
CID 11148672
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
5-(2-chlorophenyl)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 102434881
CID 70182504
CID 70182504
2,2,5-trimethyl-6-phenylmethoxybenzo[g][1,3]benzodioxin-4-one
CID 134846451
2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
CID 170602979
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
[7-(ethylamino)-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl] trifluoromethanesulfonate
CID 90048752
(2,2-dimethyl-1,3-benzodioxol-4-yl) acetate
CID 91551144
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione
CID 11057281

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one?
The IUPAC name of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one (CID 71492686) is 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one.
What is the SMILES notation for 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one?
The canonical SMILES for 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one is CC(C)(C)COc1cccc2c1C(=O)OC(C)(C)O2.
What is the InChIKey of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one?
The InChIKey is WPBBHDUWQSAFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-14(2,3)9-17-10-7-6-8-11-12(10)13(16)19-15(4,5)18-11/h6-8H,9H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one?
5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one has a molecular weight of 264.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1,3-benzodioxin-4-one is sourced from PubChem (CID 71492686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).