Methyl 2-[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetate

HCID 429461

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Basic information

CAS: 17768-32-0
Standard SMILES: COC(=O)CC12CC3(C)CC(C)(C1)CC(CC(=O)OC)(C3)C2
InChIKey: FEMRSVUPDZMTRG-UHFFFAOYSA-N
Molecular formula: C18H28O4
Average molar mass: 308.4 g/mol
Monoisotopic mass: 308.19875937

Names & identifiers

Preferred name: Methyl 2-[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetate
IUPAC: methyl 2-[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetate

Names & synonyms

17768-32-0NSC255328methyl 2-[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetateDTXSID10330446NSC-255328Dimethyl 2,2'-(5,7-dimethyltricyclo[3.3.1.1~3,7~]decane-1,3-diyl)diacetate

Database identifiers

CAS: 17768-32-0
PubChem CID: 429461
DTXSID: DTXSID10330446

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 451

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