3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane

C12H20O2 — CID 101032014

IUPAC3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane
SMILESC=C1CCCC2(COC(C)(C)OC2)C1
InChIInChI=1S/C12H20O2/c1-10-5-4-6-12(7-10)8-13-11(2,3)14-9-12/h1,4-9H2,2-3H3
InChIKeyQOOCJTLQZDTNRY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds

About 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane

3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane (PubChem CID 101032014) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane
PubChem CID101032014
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane
SMILESC=C1CCCC2(COC(C)(C)OC2)C1
InChIInChI=1S/C12H20O2/c1-10-5-4-6-12(7-10)8-13-11(2,3)14-9-12/h1,4-9H2,2-3H3
InChIKeyQOOCJTLQZDTNRY-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[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

3,3-Dimethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane
CID 57965272
3,9-Di(ethylidene)-2,4-dioxaspiro[5.5]undecane
CID 66977418
5-Dodecyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 69287629
(6S)-3,4,4,10,10-pentamethyl-1,7-dioxaspiro[5.5]undec-2-ene
CID 89694967
6,6-Dimethyl-8-methylidene-1,4-dioxaspiro[4.5]decane
CID 162442255
2-(2,3-Dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane
CID 167099102
12-Methyl-7,16-dioxadispiro[5.2.5^{9}.2^{6}]hexadec-11-ene
CID 910959
trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane
CID 10497259
2-[2-[(1R,2E)-2-(bromomethylidene)-1-methylcyclohexyl]ethyl]-2,5,5-trimethyl-1,3-dioxane
CID 10807461
12-Methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene
CID 23827218
(3S,4R)-4-butyl-3-ethenyl-3-methyl-1,5-dioxaspiro[5.5]undecane
CID 24113949
2-Methyl-2-(1-methyl-4-methylenecyclohexyl)-1,3-dioxolane
CID 24977532

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane (CID 101032014) is 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane is C=C1CCCC2(COC(C)(C)OC2)C1.
What is the InChIKey of 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane?
The InChIKey is QOOCJTLQZDTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10-5-4-6-12(7-10)8-13-11(2,3)14-9-12/h1,4-9H2,2-3H3.
What are the key properties of 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane?
3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane is sourced from PubChem (CID 101032014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).