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3-Ethenylcyclooctene

HCID 549002
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
2213-60-7
Standard SMILES
C=CC1C=CCCCCC1
InChIKey
UHQZGHLWHFIZHF-UHFFFAOYSA-N
Molecular formula
C10H16
Average molar mass
136.23 g/mol
Monoisotopic mass
136.12520051

Names & identifiers

Preferred name
3-Ethenylcyclooctene
IUPAC
3-ethenylcyclooctene
English name
3-Ethenylcyclooctene
Molecular formula
C10H16
Molecular weight
136.23

Names & synonyms

3-Ethenylcyclooctene2213-60-73-ethenylcyclooct-1-eneSCHEMBL1223232DTXSID20338418Cyclooctene, 3-ethenyl-

Database identifiers

CAS
2213-60-7
PubChem CID
549002
DTXSID
DTXSID20338418

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
122

Physicochemical properties

Boiling point
59 · 59.0-60.3 °C(Press: 12-13 Torr)
Density
0.872 · 0.872±0.06 g/cm3(Predicted)

Related reactions

1 records
New reaction record
HRID 672133 reaction equation
HRID 672133As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes