1-(2,2-dimethylpropoxy)-2,2-dimethylbutane

C11H24O — CID 22957871

IUPAC1-(2,2-dimethylpropoxy)-2,2-dimethylbutane
SMILESCCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C11H24O/c1-7-11(5,6)9-12-8-10(2,3)4/h7-9H2,1-6H3
InChIKeyRUVXGNGKZKAOMX-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane

1-(2,2-dimethylpropoxy)-2,2-dimethylbutane (PubChem CID 22957871) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-2,2-dimethylbutane
PubChem CID22957871
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-(2,2-dimethylpropoxy)-2,2-dimethylbutane
SMILESCCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C11H24O/c1-7-11(5,6)9-12-8-10(2,3)4/h7-9H2,1-6H3
InChIKeyRUVXGNGKZKAOMX-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane?
The IUPAC name of 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane (CID 22957871) is 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane is CCC(C)(C)COCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane?
The InChIKey is RUVXGNGKZKAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-7-11(5,6)9-12-8-10(2,3)4/h7-9H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane?
1-(2,2-dimethylpropoxy)-2,2-dimethylbutane has a molecular weight of 172.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-2,2-dimethylbutane is sourced from PubChem (CID 22957871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).