2-methyl-4-methylidene-1-oxaspiro[5.5]undecane

C12H20O — CID 5050874

IUPAC2-methyl-4-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CC(C)OC2(CCCCC2)C1
InChIInChI=1S/C12H20O/c1-10-8-11(2)13-12(9-10)6-4-3-5-7-12/h11H,1,3-9H2,2H3
InChIKeyBLSRTDDXUGEHKY-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.44
Rot. Bonds

About 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane

2-methyl-4-methylidene-1-oxaspiro[5.5]undecane (PubChem CID 5050874) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name2-methyl-4-methylidene-1-oxaspiro[5.5]undecane
PubChem CID5050874
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-methyl-4-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CC(C)OC2(CCCCC2)C1
InChIInChI=1S/C12H20O/c1-10-8-11(2)13-12(9-10)6-4-3-5-7-12/h11H,1,3-9H2,2H3
InChIKeyBLSRTDDXUGEHKY-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.44
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-1-oxaspiro[5.5]undecane?
The IUPAC name of 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane (CID 5050874) is 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane?
The canonical SMILES for 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane is C=C1CC(C)OC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane?
The InChIKey is BLSRTDDXUGEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-8-11(2)13-12(9-10)6-4-3-5-7-12/h11H,1,3-9H2,2H3.
What are the key properties of 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane?
2-methyl-4-methylidene-1-oxaspiro[5.5]undecane has a molecular weight of 180.29 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 5050874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).