4-(2,3,3-trimethylbutan-2-yloxy)oxane

C12H24O2 — CID 58374204

IUPAC4-(2,3,3-trimethylbutan-2-yloxy)oxane
SMILESCC(C)(C)C(C)(C)OC1CCOCC1
InChIInChI=1S/C12H24O2/c1-11(2,3)12(4,5)14-10-6-8-13-9-7-10/h10H,6-9H2,1-5H3
InChIKeyKAWZKJKHUOFACZ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.01
Rot. Bonds2

About 4-(2,3,3-trimethylbutan-2-yloxy)oxane

4-(2,3,3-trimethylbutan-2-yloxy)oxane (PubChem CID 58374204) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-(2,3,3-trimethylbutan-2-yloxy)oxane.

Molecular Properties

Compound Name4-(2,3,3-trimethylbutan-2-yloxy)oxane
PubChem CID58374204
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-(2,3,3-trimethylbutan-2-yloxy)oxane
SMILESCC(C)(C)C(C)(C)OC1CCOCC1
InChIInChI=1S/C12H24O2/c1-11(2,3)12(4,5)14-10-6-8-13-9-7-10/h10H,6-9H2,1-5H3
InChIKeyKAWZKJKHUOFACZ-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trimethylbutan-2-yloxy)oxane?
The IUPAC name of 4-(2,3,3-trimethylbutan-2-yloxy)oxane (CID 58374204) is 4-(2,3,3-trimethylbutan-2-yloxy)oxane.
What is the SMILES notation for 4-(2,3,3-trimethylbutan-2-yloxy)oxane?
The canonical SMILES for 4-(2,3,3-trimethylbutan-2-yloxy)oxane is CC(C)(C)C(C)(C)OC1CCOCC1.
What is the InChIKey of 4-(2,3,3-trimethylbutan-2-yloxy)oxane?
The InChIKey is KAWZKJKHUOFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,3)12(4,5)14-10-6-8-13-9-7-10/h10H,6-9H2,1-5H3.
What are the key properties of 4-(2,3,3-trimethylbutan-2-yloxy)oxane?
4-(2,3,3-trimethylbutan-2-yloxy)oxane has a molecular weight of 200.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trimethylbutan-2-yloxy)oxane is sourced from PubChem (CID 58374204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).