2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane

C12H26O — CID 90803866

IUPAC2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane
SMILESCCC(C)(C)OC(C)(C)C(C)(C)C
InChIInChI=1S/C12H26O/c1-9-11(5,6)13-12(7,8)10(2,3)4/h9H2,1-8H3
InChIKeyACVHMKQFIRCRJJ-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds3

About 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane

2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane (PubChem CID 90803866) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane
PubChem CID90803866
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane
SMILESCCC(C)(C)OC(C)(C)C(C)(C)C
InChIInChI=1S/C12H26O/c1-9-11(5,6)13-12(7,8)10(2,3)4/h9H2,1-8H3
InChIKeyACVHMKQFIRCRJJ-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane?
The IUPAC name of 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane (CID 90803866) is 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane.
What is the SMILES notation for 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane?
The canonical SMILES for 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane is CCC(C)(C)OC(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane?
The InChIKey is ACVHMKQFIRCRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-9-11(5,6)13-12(7,8)10(2,3)4/h9H2,1-8H3.
What are the key properties of 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane?
2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2-methylbutan-2-yloxy)butane is sourced from PubChem (CID 90803866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).