1,3-Cyclopentadiene, octyl-

HCID 528170CAS 123698-22-6
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Basic information

Standard SMILES
CCCCCCCCC1=CC=CC1
InChIKey
JGLVQJXCFCINBL-UHFFFAOYSA-N
Molecular formula
C13H22
Average molar mass
178.31 g/mol
Monoisotopic mass
178.1721507

Names & identifiers

Preferred name
1,3-Cyclopentadiene, octyl-
IUPAC
1-octylcyclopenta-1,3-diene

Names & synonyms

1,3-Cyclopentadiene, 1-octyl123698-22-61-octylcyclopenta-1,3-diene1,3-Cyclopentadiene, octyl-n-octylcyclopentadieneSCHEMBL2589096SCHEMBL5086528DTXSID80335968

Database identifiers

CAS
123698-22-6
PubChem CID
528170
DTXSID
DTXSID80335968
Nikkaji
J3.318.641J

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
7
Heavy atoms
13

Related reactions

3 records
New reaction record

Linked notes

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