4-[(2-methylpropan-2-yl)oxymethyl]oxane

C10H20O2 — CID 59446297

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OCC1CCOCC1
InChIInChI=1S/C10H20O2/c1-10(2,3)12-8-9-4-6-11-7-5-9/h9H,4-8H2,1-3H3
InChIKeyZZZXMAFWTFEHGO-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]oxane

4-[(2-methylpropan-2-yl)oxymethyl]oxane (PubChem CID 59446297) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]oxane.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]oxane
PubChem CID59446297
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OCC1CCOCC1
InChIInChI=1S/C10H20O2/c1-10(2,3)12-8-9-4-6-11-7-5-9/h9H,4-8H2,1-3H3
InChIKeyZZZXMAFWTFEHGO-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]oxane?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]oxane (CID 59446297) is 4-[(2-methylpropan-2-yl)oxymethyl]oxane.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]oxane?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]oxane is CC(C)(C)OCC1CCOCC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]oxane?
The InChIKey is ZZZXMAFWTFEHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)12-8-9-4-6-11-7-5-9/h9H,4-8H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]oxane?
4-[(2-methylpropan-2-yl)oxymethyl]oxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]oxane is sourced from PubChem (CID 59446297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).