5-(Methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxane

HCID 31450

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Basic information

CAS: 101198-15-6
Standard SMILES: COCC1(C(C)C)COC(C(C)C)OC1
InChIKey: CFTRTANOVLLRJS-UHFFFAOYSA-N
Molecular formula: C12H24O3
Average molar mass: 216.32 g/mol
Monoisotopic mass: 216.17254462

Names & identifiers

Preferred name: 5-(Methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxane
IUPAC: 5-(methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxane

Names & synonyms

DTXSID509059755-(methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxaneRefChem:1072563DTXCID001335076cis-2,5-Isopropyl-5-(methoxymethyl)-1,3-dioxane101198-15-622644-53-7m-DIOXANE, 2,5-ISOPROPYL-5-(METHOXYMETHYL)-, (Z)-trans-2,5-Isopropyl-5-(methoxymethyl)-1,3-dioxanem-DIOXANE, 2,5-ISOPROPYL-5-(METHOXYMETHYL)-, (E)-

Database identifiers

CAS: 101198-15-6、22644-53-7
PubChem CID: 31450
DTXSID: DTXSID50905975
Nikkaji: J73.754B、J73.755K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 181

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