Basic information
- CAS
6301-49-1- Standard SMILES
CCCCC1=CC(=O)CCC1- InChIKey
SJYRTKPGUIZRFJ-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 3-Butylcyclohex-2-en-1-one
- IUPAC
- 3-butylcyclohex-2-en-1-one
- English name
- 3-butylcyclohex-2-enone
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
3-butylcyclohex-2-en-1-one6301-49-1DTXSID10286131RefChem:277963DTXCID302372813-butyl-2-cyclohexen-1-oneNSC438923-Butylcyclohexenone3-butyl-cyclohex-2-en-1-oneSCHEMBL48691013-n-butyl-2-cyclohexen-1-oneSJYRTKPGUIZRFJ-UHFFFAOYSA-N
Show more names
3-butylcyclohex-2-enone2-Cyclohexen-1-one, 3-butyl-
MFCD19301004NSC-43892AKOS014312030AS-58688D94147F864253
Database identifiers
- CAS
6301-49-1- PubChem CID
- 239095
- DTXSID
DTXSID10286131- Nikkaji
- J270.417J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 82 · 82-89 °C(Press: 0.3 Torr)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
4 records
Compound notes
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