8-(5-Methyl-1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

HCID 59017444

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cnc(C2(O)CCC3(CC2)OCCO3)s1
InChIKey: NDHLJQPNGDTNIJ-UHFFFAOYSA-N
Molecular formula: C12H17NO3S
Average molar mass: 255.34 g/mol

Names & identifiers

Preferred name: 8-(5-Methyl-1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
IUPAC: 8-(5-methyl-1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

Names & synonyms

8-(5-Methyl-1,3-thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-olSCHEMBL2507212NDHLJQPNGDTNIJ-UHFFFAOYSA-N

Database identifiers

PubChem CID: 59017444

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 283

Related reactions

8 records

New reaction record

HRID 138550As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 683966As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 969581As productuspto-grants-2007_12

HRID 969582As reactantuspto-grants-2007_12

HRID 2103360As productuspto-grants-2009_08

HRID 2103361As reactantuspto-grants-2009_08

HRID 2366999As productuspto-grants-2014_04

HRID 2367000As reactantuspto-grants-2014_04

Compound notes

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