4-(2-methoxypropan-2-yl)oxane

C9H18O2 — CID 59169349

IUPAC4-(2-methoxypropan-2-yl)oxane
SMILESCOC(C)(C)C1CCOCC1
InChIInChI=1S/C9H18O2/c1-9(2,10-3)8-4-6-11-7-5-8/h8H,4-7H2,1-3H3
InChIKeyQBGLWJGZDOGBML-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds2

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

4-(2-methoxypropan-2-yl)oxane (PubChem CID 59169349) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)oxane.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)oxane
PubChem CID59169349
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-(2-methoxypropan-2-yl)oxane
SMILESCOC(C)(C)C1CCOCC1
InChIInChI=1S/C9H18O2/c1-9(2,10-3)8-4-6-11-7-5-8/h8H,4-7H2,1-3H3
InChIKeyQBGLWJGZDOGBML-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)oxane?
The IUPAC name of 4-(2-methoxypropan-2-yl)oxane (CID 59169349) is 4-(2-methoxypropan-2-yl)oxane.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)oxane?
The canonical SMILES for 4-(2-methoxypropan-2-yl)oxane is COC(C)(C)C1CCOCC1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)oxane?
The InChIKey is QBGLWJGZDOGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2,10-3)8-4-6-11-7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-methoxypropan-2-yl)oxane?
4-(2-methoxypropan-2-yl)oxane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)oxane is sourced from PubChem (CID 59169349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).