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

C11H28O3 — CID 137372910

IUPAC1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate
SMILESCC(C)(C)COCC(C)(C)C.CO.O
InChIInChI=1S/C10H22O.CH4O.H2O/c1-9(2,3)7-11-8-10(4,5)6;1-2;/h7-8H2,1-6H3;2H,1H3;1H2
InChIKeyPARLBZXGNNPPEJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP1.88
Rot. Bonds2

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

1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate (PubChem CID 137372910) has the molecular formula C11H28O3 and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate
PubChem CID137372910
Molecular FormulaC11H28O3
Molecular Weight208.34 g/mol
Exact Mass208.20
IUPAC Name1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate
SMILESCC(C)(C)COCC(C)(C)C.CO.O
InChIInChI=1S/C10H22O.CH4O.H2O/c1-9(2,3)7-11-8-10(4,5)6;1-2;/h7-8H2,1-6H3;2H,1H3;1H2
InChIKeyPARLBZXGNNPPEJ-UHFFFAOYSA-N
XLogP1.88
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 51.88
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;hydrate?
The IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate (CID 137372910) is 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate is CC(C)(C)COCC(C)(C)C.CO.O.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate?
The InChIKey is PARLBZXGNNPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.CH4O.H2O/c1-9(2,3)7-11-8-10(4,5)6;1-2;/h7-8H2,1-6H3;2H,1H3;1H2.
What are the key properties of 1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate?
1-(2,2-dimethylpropoxy)-2,2-dimethylpropane;methanol;hydrate has a molecular weight of 208.34 g/mol, XLogP of 1.88, 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;hydrate is sourced from PubChem (CID 137372910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).