2-methyl-4-methylidene-2-(2-methylpropyl)oxane

C11H20O — CID 14435359

IUPAC2-methyl-4-methylidene-2-(2-methylpropyl)oxane
SMILESC=C1CCOC(C)(CC(C)C)C1
InChIInChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12-11/h9H,3,5-8H2,1-2,4H3
InChIKeyHIOQXAAIDUQPDX-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 2-methyl-4-methylidene-2-(2-methylpropyl)oxane

2-methyl-4-methylidene-2-(2-methylpropyl)oxane (PubChem CID 14435359) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-4-methylidene-2-(2-methylpropyl)oxane.

Molecular Properties

Compound Name2-methyl-4-methylidene-2-(2-methylpropyl)oxane
PubChem CID14435359
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methyl-4-methylidene-2-(2-methylpropyl)oxane
SMILESC=C1CCOC(C)(CC(C)C)C1
InChIInChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12-11/h9H,3,5-8H2,1-2,4H3
InChIKeyHIOQXAAIDUQPDX-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidene-2-(2-methylpropyl)oxane?
The IUPAC name of 2-methyl-4-methylidene-2-(2-methylpropyl)oxane (CID 14435359) is 2-methyl-4-methylidene-2-(2-methylpropyl)oxane.
What is the SMILES notation for 2-methyl-4-methylidene-2-(2-methylpropyl)oxane?
The canonical SMILES for 2-methyl-4-methylidene-2-(2-methylpropyl)oxane is C=C1CCOC(C)(CC(C)C)C1.
What is the InChIKey of 2-methyl-4-methylidene-2-(2-methylpropyl)oxane?
The InChIKey is HIOQXAAIDUQPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12-11/h9H,3,5-8H2,1-2,4H3.
What are the key properties of 2-methyl-4-methylidene-2-(2-methylpropyl)oxane?
2-methyl-4-methylidene-2-(2-methylpropyl)oxane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-2-(2-methylpropyl)oxane is sourced from PubChem (CID 14435359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).