(+/-)-2-Cyano-4-(2,5-diacetoxy-3,4,6-trimethylphenyl)butan-2-ol

HCID 21432286

Notes Reactions

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Basic information

Standard SMILES: CC(=O)Oc1c(C)c(C)c(OC(C)=O)c(CCC(C)(O)C#N)c1C
InChIKey: VTZZDHSCRSQSST-UHFFFAOYSA-N
Molecular formula: C18H23NO5
Average molar mass: 333.4 g/mol

Names & identifiers

Preferred name: (+/-)-2-Cyano-4-(2,5-diacetoxy-3,4,6-trimethylphenyl)butan-2-ol
IUPAC: [4-acetyloxy-3-(3-cyano-3-hydroxybutyl)-2,5,6-trimethylphenyl] acetate

Names & synonyms

SCHEMBL11702861VTZZDHSCRSQSST-UHFFFAOYSA-N(+/-)-2-cyano-4-(2,5-diacetoxy-3,4,6-trimethylphenyl)butan-2-ol(+/-)-2 -cyano-4-(2,5-diacetoxy-3,4,6-trimethylphenyl)butan-2-ol

Database identifiers

PubChem CID: 21432286

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 96.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 525

Related reactions

8 records

New reaction record

HRID 268420As productuspto-grants-1976_03

HRID 268421As reactantuspto-grants-1976_03

HRID 328856As productuspto-grants-1977_04

HRID 328857As reactantuspto-grants-1977_04

HRID 1415239As productuspto-grants-1977_01

HRID 1415240As reactantuspto-grants-1977_01

HRID 2399061As productuspto-grants-1977_05

HRID 2399062As reactantuspto-grants-1977_05

Compound notes

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