4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane

C11H20O2 — CID 67949232

IUPAC4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane
SMILESC=C1CC(C)(OC(C)(C)C)CCO1
InChIInChI=1S/C11H20O2/c1-9-8-11(5,6-7-12-9)13-10(2,3)4/h1,6-8H2,2-5H3
InChIKeyLLASBIMIRYCQFW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.88
Rot. Bonds1

About 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane

4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane (PubChem CID 67949232) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane.

Molecular Properties

Compound Name4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane
PubChem CID67949232
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane
SMILESC=C1CC(C)(OC(C)(C)C)CCO1
InChIInChI=1S/C11H20O2/c1-9-8-11(5,6-7-12-9)13-10(2,3)4/h1,6-8H2,2-5H3
InChIKeyLLASBIMIRYCQFW-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane?
The IUPAC name of 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane (CID 67949232) is 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane.
What is the SMILES notation for 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane?
The canonical SMILES for 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane is C=C1CC(C)(OC(C)(C)C)CCO1.
What is the InChIKey of 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane?
The InChIKey is LLASBIMIRYCQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-8-11(5,6-7-12-9)13-10(2,3)4/h1,6-8H2,2-5H3.
What are the key properties of 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane?
4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxy]oxane is sourced from PubChem (CID 67949232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).