6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane

C12H20O3 — CID 593229

IUPAC6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC1CCC(C2(C)CO2)CC12OCCO2
InChIInChI=1S/C12H20O3/c1-9-3-4-10(11(2)8-15-11)7-12(9)13-5-6-14-12/h9-10H,3-8H2,1-2H3
InChIKeyZYLLGVWDDALYGP-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.95
Rot. Bonds1

About 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane

6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 593229) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID593229
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCC1CCC(C2(C)CO2)CC12OCCO2
InChIInChI=1S/C12H20O3/c1-9-3-4-10(11(2)8-15-11)7-12(9)13-5-6-14-12/h9-10H,3-8H2,1-2H3
InChIKeyZYLLGVWDDALYGP-UHFFFAOYSA-N
XLogP1.95
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid
CID 130642210
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 51669756
6,9-dimethyl-1,4-dioxa-9-azaspiro[4.5]decane
CID 21050567
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
2,5,11,14-tetramethyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 10469126
2,2,3,3,4-pentamethyloxane
CID 140691979
(Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine
CID 172916676
2'-chlorospiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-carbonitrile
CID 134967360
[(1'R,5'R)-spiro[1,3-dioxolane-2,3'-tricyclo[3.3.0.02,8]octane]-1'-yl]methanol
CID 11063350
1,2,6,6-tetramethylbicyclo[3.2.1]octane
CID 91498666
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
CID 175971620

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane (CID 593229) is 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane is CC1CCC(C2(C)CO2)CC12OCCO2.
What is the InChIKey of 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is ZYLLGVWDDALYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-3-4-10(11(2)8-15-11)7-12(9)13-5-6-14-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane?
6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 212.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 593229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).