6,8-Dioxabicyclo(3.2.1)octane, 1-ethyl-5-methyl-

HCID 178406

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Basic information

CAS: 137720-41-3
Standard SMILES: CCC12CCCC(C)(OC1)O2
InChIKey: QXEAOCBXEPPURY-UHFFFAOYSA-N
Molecular formula: C9H16O2
Average molar mass: 156.22 g/mol
Monoisotopic mass: 156.11502975

Names & identifiers

Preferred name: 6,8-Dioxabicyclo(3.2.1)octane, 1-ethyl-5-methyl-
IUPAC: 1-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane

Names & synonyms

5-Ethyl-1-methyl-6,8-dioxabicyclo(3.2.1)octane137720-41-36,8-Dioxabicyclo(3.2.1)octane, 1-ethyl-5-methyl-RefChem:306362DTXSID109298791-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane

Database identifiers

CAS: 137720-41-3
PubChem CID: 178406
DTXSID: DTXSID10929879

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 169

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