Basic information
- CAS
58049-91-5- Standard SMILES
CC1(C)C=CCC1- InChIKey
FONFXXNTLGAHGI-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Names & identifiers
- Preferred name
- 3,3-Dimethylcyclopentene
- IUPAC
- 3,3-dimethylcyclopentene
- English name
- 3,3-dimethylcyclopentene
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
3,3-Dimethylcyclopentene58049-91-53,3-Dimethyl-1-cyclopenteneCyclopentene, 3,3-dimethyl-3,3-DIMETHYLCYCLOPENT-1-ENEVE2HJV2ESEEINECS 261-083-9DTXSID70206774RefChem:90814DTXCID00129265261-083-9MFCD18974390
Show more names
UNII-VE2HJV2ESESCHEMBL910750SCHEMBL911005SCHEMBL911101SCHEMBL911293SCHEMBL2594264SCHEMBL6587637FONFXXNTLGAHGI-UHFFFAOYSA-N
Database identifiers
- CAS
58049-91-5- PubChem CID
- 93922
- DTXSID
DTXSID70206774- UNII
- VE2HJV2ESE
- EC Number
- 261-083-9
- Nikkaji
- J296.855J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -108.93 °C · -108.93°C (estimate)
- Boiling point
- 99.75 °C · 99.75°C (estimate)
- Density
- 0.766 · 0.7660
- refractive index
- 1.42 · 1.4200
- FDA UNII
- 2 HJV2ESE · VE2HJV2ESE
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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