1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol

C12H28O2 — CID 87147247

IUPAC1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol
SMILESCC(C)(C)COCC(C)(C)C.CCO
InChIInChI=1S/C10H22O.C2H6O/c1-9(2,3)7-11-8-10(4,5)6;1-2-3/h7-8H2,1-6H3;3H,2H2,1H3
InChIKeyHWWIRXMRGZIILS-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.09
Rot. Bonds2

About 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol

1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol (PubChem CID 87147247) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol
PubChem CID87147247
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol
SMILESCC(C)(C)COCC(C)(C)C.CCO
InChIInChI=1S/C10H22O.C2H6O/c1-9(2,3)7-11-8-10(4,5)6;1-2-3/h7-8H2,1-6H3;3H,2H2,1H3
InChIKeyHWWIRXMRGZIILS-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol?
The IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol (CID 87147247) is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol is CC(C)(C)COCC(C)(C)C.CCO.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol?
The InChIKey is HWWIRXMRGZIILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C2H6O/c1-9(2,3)7-11-8-10(4,5)6;1-2-3/h7-8H2,1-6H3;3H,2H2,1H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol?
1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol has a molecular weight of 204.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;ethanol is sourced from PubChem (CID 87147247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).