4-(2-methylbutan-2-yl)oxane

C10H20O — CID 91527752

IUPAC4-(2-methylbutan-2-yl)oxane
SMILESCCC(C)(C)C1CCOCC1
InChIInChI=1S/C10H20O/c1-4-10(2,3)9-5-7-11-8-6-9/h9H,4-8H2,1-3H3
InChIKeyBXKGECUARTXTGJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds2

About 4-(2-methylbutan-2-yl)oxane

4-(2-methylbutan-2-yl)oxane (PubChem CID 91527752) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)oxane.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)oxane
PubChem CID91527752
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-(2-methylbutan-2-yl)oxane
SMILESCCC(C)(C)C1CCOCC1
InChIInChI=1S/C10H20O/c1-4-10(2,3)9-5-7-11-8-6-9/h9H,4-8H2,1-3H3
InChIKeyBXKGECUARTXTGJ-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)oxane?
The IUPAC name of 4-(2-methylbutan-2-yl)oxane (CID 91527752) is 4-(2-methylbutan-2-yl)oxane.
What is the SMILES notation for 4-(2-methylbutan-2-yl)oxane?
The canonical SMILES for 4-(2-methylbutan-2-yl)oxane is CCC(C)(C)C1CCOCC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)oxane?
The InChIKey is BXKGECUARTXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-10(2,3)9-5-7-11-8-6-9/h9H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)oxane?
4-(2-methylbutan-2-yl)oxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)oxane is sourced from PubChem (CID 91527752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).