2-Methyl-6-methylideneoctyl acetate

HCID 55896

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Basic information

CAS: 88969-41-9
Standard SMILES: C=C(CC)CCCC(C)COC(C)=O
InChIKey: IRRIQZAIMANVTH-UHFFFAOYSA-N
Molecular formula: C12H22O2
Average molar mass: 198.3 g/mol
Monoisotopic mass: 198.16197994

Names & identifiers

Preferred name: 2-Methyl-6-methylideneoctyl acetate
IUPAC: (2-methyl-6-methylideneoctyl) acetate

Names & synonyms

DTXSID0010085822-METHYL-6-METHYLIDENEOCTYL ACETATERefChem:1063773DTXCID301435417BRN 1864581EINECS 289-458-23-Methylene-7-methyloctan-7-yl acetate2-Methyl-6-methylene-2-octanol acetate (ester)2-OCTANOL, 2-METHYL-6-METHYLENE-, ACETATE (ester)NS00122337

Database identifiers

CAS: 88969-41-9
PubChem CID: 55896
DTXSID: DTXSID001008582

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 14
Formal charge: 0
Complexity: 185

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