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1-Methylbicyclo[2.2.1]heptan-2-ol

HCID 557239
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
54339-50-3
Standard SMILES
CC12CCC(CC1O)C2
InChIKey
YWRVUMNRBIOXJQ-UHFFFAOYSA-N
Molecular formula
C8H14O
Average molar mass
126.2 g/mol
Monoisotopic mass
126.10446507

Names & identifiers

Preferred name
1-Methylbicyclo[2.2.1]heptan-2-ol
IUPAC
1-methylbicyclo[2.2.1]heptan-2-ol

Names & synonyms

1-Methylbicyclo[2.2.1]heptan-2-olBicyclo[2.2.1]heptan-2-ol, 1-methyl-54339-50-31-methyl-2-norbornanol1-methyl- 2-norbornanolSCHEMBL6674261DTXSID60339606methylbicyclo[2,2,1] heptan-2-ol1-Methylbicyclo[2.2.1]heptan-2-ol #1-Methylbicyclo[2.2.1]heptan-exo-2-ol

Database identifiers

CAS
54339-50-3
PubChem CID
557239
DTXSID
DTXSID60339606
Nikkaji
J706.170F

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
Formal charge
0
Complexity
133

Related reactions

7 records
New reaction record
HRID 108782 reaction equation
HRID 108782As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 810660 reaction equation
HRID 810660As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2136043 reaction equation
HRID 2136043As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2211325 reaction equation
HRID 2211325As reactantuspto-grants-1995_10
HRID 2211328 reaction equation
HRID 2211328As productuspto-grants-1995_10
HRID 2280807 reaction equation
HRID 2280807As productuspto-grants-2015_09
HRID 2280808 reaction equation
HRID 2280808As reactantuspto-grants-2015_09

Compound notes

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