3,6,9,12-Tetraoxatetradecane-1,14-diyl diacetate

HCID 89835

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Basic information

CAS: 22790-13-2
Standard SMILES: CC(=O)OCCOCCOCCOCCOCCOC(C)=O
InChIKey: MBGINZGOPMLHQN-UHFFFAOYSA-N
Molecular formula: C14H26O8
Average molar mass: 322.35 g/mol
Monoisotopic mass: 322.16276778

Names & identifiers

Preferred name: 3,6,9,12-Tetraoxatetradecane-1,14-diyl diacetate
IUPAC: 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
English name: 3,6,9,12-tetraoxatetradecane-1,14-diyl diacetate
Molecular formula: C14H26O8
Molecular weight: 322.35144

Names & synonyms

22790-13-23,6,9,12-Tetraoxatetradecane-1,14-diyl diacetate3,6,9,12-Tetraoxatetradecane-1,14-diol, diacetateEINECS 245-222-0SCHEMBL8862661DTXSID30177330NS000272603,6,9,12-Tetraoxatetradecane-1,14-diol diacetate

Database identifiers

CAS: 22790-13-2
PubChem CID: 89835
DTXSID: DTXSID30177330
EC Number: 245-222-0
Nikkaji: J286.308A

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 89.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 22
Formal charge: 0
Complexity: 254

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