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1,3-Dimethylcyclopentene

HCID 3017320
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
62184-82-1
Standard SMILES
CC1=CC(C)CC1
InChIKey
QIIAONVJAUZQQR-UHFFFAOYSA-N
Molecular formula
C7H12
Average molar mass
96.17 g/mol
Monoisotopic mass
96.09390038

Names & identifiers

Preferred name
1,3-Dimethylcyclopentene
IUPAC
1,3-dimethylcyclopentene
English name
1,3-Dimethylcyclopentene
Molecular formula
C7H12
Molecular weight
96.17

Names & synonyms

1,3-DimethylcyclopenteneEINECS 263-448-862184-82-1RefChem:72734263-448-857374-02-41,3-dimethylcyclopent-1-eneSCHEMBL35314SCHEMBL910149SCHEMBL910475SCHEMBL910842SCHEMBL910903
Show more names
Cyclopentene, 1,3-dimethyl-
SCHEMBL6589917SCHEMBL6590548DTXSID20977765AKOS006273553DB-301075NS00056379

Database identifiers

CAS
62184-82-1
PubChem CID
3017320
DTXSID
DTXSID20977765
EC Number
263-448-8

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
7
Formal charge
0
Complexity
90.2

Physicochemical properties

Melting point
-108.93 °C · -108.93°C (estimate)
Boiling point
99.75 °C · 99.75°C (estimate)
Density
0.761 · 0.7610
refractive index
1.425 · 1.4250

Chemistry & industry

Suppliers3 total

HONEST JOY HOLDINGS LIMITED[email protected]
CHEMSAMPCO[email protected]
Service Chemical Inc.[email protected]

Related reactions

2 records
New reaction record
HRID 1134561 reaction equation
HRID 1134561As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1858400 reaction equation
HRID 1858400As reactantuspto-grants-2000_11

Compound notes

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