2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane

C13H22O — CID 85166903

IUPAC2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CCCC2(C1)CC(C)CC(C)O2
InChIInChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h11-12H,1,4-9H2,2-3H3
InChIKeyUPBZNOZXQBRQRI-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds

About 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane

2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane (PubChem CID 85166903) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane
PubChem CID85166903
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CCCC2(C1)CC(C)CC(C)O2
InChIInChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h11-12H,1,4-9H2,2-3H3
InChIKeyUPBZNOZXQBRQRI-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
4-Methylidene-2-propan-2-yloxane
CID 12283091
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
2,2-Dimethyl-5-(prop-1-en-2-yl)oxane
CID 71429158
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
CID 10774208
2,2-Dimethyl-6-methylene-3-oxabicyclo[3.3.1]nonane
CID 14313116
CID 91615680
CID 91615680
W66K9Csq4Z
CID 92278448
4-Methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane
CID 100930786
1-Methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
CID 101411637

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
The IUPAC name of 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane (CID 85166903) is 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
The canonical SMILES for 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane is C=C1CCCC2(C1)CC(C)CC(C)O2.
What is the InChIKey of 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
The InChIKey is UPBZNOZXQBRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10-5-4-6-13(8-10)9-11(2)7-12(3)14-13/h11-12H,1,4-9H2,2-3H3.
What are the key properties of 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane?
2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-10-methylidene-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 85166903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).