1-ethoxy-2,2-dimethylpropane

C7H16O — CID 12699282

IUPAC1-ethoxy-2,2-dimethylpropane
SMILESCCOCC(C)(C)C
InChIInChI=1S/C7H16O/c1-5-8-6-7(2,3)4/h5-6H2,1-4H3
InChIKeyBQMLWEKOSHSOFT-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.07
Rot. Bonds2

About 1-ethoxy-2,2-dimethylpropane

1-ethoxy-2,2-dimethylpropane (PubChem CID 12699282) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 1-ethoxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-ethoxy-2,2-dimethylpropane
PubChem CID12699282
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name1-ethoxy-2,2-dimethylpropane
SMILESCCOCC(C)(C)C
InChIInChI=1S/C7H16O/c1-5-8-6-7(2,3)4/h5-6H2,1-4H3
InChIKeyBQMLWEKOSHSOFT-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2-dimethylpropane?
The IUPAC name of 1-ethoxy-2,2-dimethylpropane (CID 12699282) is 1-ethoxy-2,2-dimethylpropane.
What is the SMILES notation for 1-ethoxy-2,2-dimethylpropane?
The canonical SMILES for 1-ethoxy-2,2-dimethylpropane is CCOCC(C)(C)C.
What is the InChIKey of 1-ethoxy-2,2-dimethylpropane?
The InChIKey is BQMLWEKOSHSOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-5-8-6-7(2,3)4/h5-6H2,1-4H3.
What are the key properties of 1-ethoxy-2,2-dimethylpropane?
1-ethoxy-2,2-dimethylpropane has a molecular weight of 116.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2-dimethylpropane is sourced from PubChem (CID 12699282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).