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2-(1-Adamantyl)ethyl methanesulfonate

HCID 15717682
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)OCCC12CC3CC(CC(C3)C1)C2
InChIKey
NRLREILWPCWKLO-UHFFFAOYSA-N
Molecular formula
C13H22O3S
Average molar mass
258.38 g/mol

Names & identifiers

Preferred name
2-(1-Adamantyl)ethyl methanesulfonate
IUPAC
2-(1-adamantyl)ethyl methanesulfonate

Names & synonyms

SCHEMBL1678182NRLREILWPCWKLO-UHFFFAOYSA-N2-(1-adamantyl)ethyl methanesulfonate

Database identifiers

PubChem CID
15717682

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
352

Related reactions

6 records
New reaction record
HRID 11432 reaction equation
HRID 11432As reactantuspto-grants-2006_08
HRID 135253 reaction equation
HRID 135253As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 957620 reaction equation
HRID 957620As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1393136 reaction equation
HRID 1393136As reactantuspto-grants-2008_03
HRID 1925511 reaction equation
HRID 1925511As reactantuspto-grants-2012_05
HRID 2075870 reaction equation
HRID 2075870As reactantuspto-grants-2011_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes