2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate

C13H30O3 — CID 161359364

IUPAC2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate
SMILESCC(C)(C)C.COC(C)(C)C.COC(C)=O
InChIInChI=1S/C5H12O.C5H12.C3H6O2/c1-5(2,3)6-4;1-5(2,3)4;1-3(4)5-2/h1-4H3;1-4H3;1-2H3
InChIKeyVOYWRDUWONHTOG-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.66
Rot. Bonds

About 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate

2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate (PubChem CID 161359364) has the molecular formula C13H30O3 and a molecular weight of 234.38 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate
PubChem CID161359364
Molecular FormulaC13H30O3
Molecular Weight234.38 g/mol
Exact Mass234.22
IUPAC Name2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate
SMILESCC(C)(C)C.COC(C)(C)C.COC(C)=O
InChIInChI=1S/C5H12O.C5H12.C3H6O2/c1-5(2,3)6-4;1-5(2,3)4;1-3(4)5-2/h1-4H3;1-4H3;1-2H3
InChIKeyVOYWRDUWONHTOG-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate?
The IUPAC name of 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate (CID 161359364) is 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate.
What is the SMILES notation for 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate?
The canonical SMILES for 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate is CC(C)(C)C.COC(C)(C)C.COC(C)=O.
What is the InChIKey of 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate?
The InChIKey is VOYWRDUWONHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C5H12.C3H6O2/c1-5(2,3)6-4;1-5(2,3)4;1-3(4)5-2/h1-4H3;1-4H3;1-2H3.
What are the key properties of 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate?
2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate has a molecular weight of 234.38 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate is sourced from PubChem (CID 161359364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).