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

C11H26O2 — CID 87644501

IUPAC1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol
SMILESCC(C)(C)COCC(C)(C)C.CO
InChIInChI=1S/C10H22O.CH4O/c1-9(2,3)7-11-8-10(4,5)6;1-2/h7-8H2,1-6H3;2H,1H3
InChIKeyAUNPPCLGGMSVFQ-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.70
Rot. Bonds2

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

1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol (PubChem CID 87644501) has the molecular formula C11H26O2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol
PubChem CID87644501
Molecular FormulaC11H26O2
Molecular Weight190.33 g/mol
Exact Mass190.19
IUPAC Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol
SMILESCC(C)(C)COCC(C)(C)C.CO
InChIInChI=1S/C10H22O.CH4O/c1-9(2,3)7-11-8-10(4,5)6;1-2/h7-8H2,1-6H3;2H,1H3
InChIKeyAUNPPCLGGMSVFQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.70
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;methanol?
The IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol (CID 87644501) is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol is CC(C)(C)COCC(C)(C)C.CO.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol?
The InChIKey is AUNPPCLGGMSVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.CH4O/c1-9(2,3)7-11-8-10(4,5)6;1-2/h7-8H2,1-6H3;2H,1H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol?
1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol has a molecular weight of 190.33 g/mol, XLogP of 2.70, 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;methanol is sourced from PubChem (CID 87644501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).