Basic information
- CAS
5932-62-7- Standard SMILES
CC(C)(C)C1CCCC(=O)CC1- InChIKey
PDCFNNIMYIKGMD-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 4-Tert-butylcycloheptanone
- IUPAC
- 4-tert-butylcycloheptan-1-one
- English name
- Cycloheptanone,4-(1,1-dimethylethyl)-
- Molecular formula
- C11H20O
- Molecular weight
- 168.2759
Names & synonyms
5932-62-74-tert-butylcycloheptanoneDTXSID60295935RefChem:296435DTXCID402470734-tert-butylcycloheptan-1-one4-(tert-Butyl)cycloheptanoneNSC1063334-t-butylcycloheptanone4-tert-butyl-cycloheptan-1-oneFAA93262MFCD22566096
Show more names
Cycloheptanone,4-(1,1-dimethylethyl)-
AKOS024054456NSC-106333SY197314EN300-85711Z1258700175
Database identifiers
- CAS
5932-62-7- PubChem CID
- 267201
- DTXSID
DTXSID60295935- Nikkaji
- J3.129.727C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-tert-butylcycloheptan-1-one is a useful research chemical used in the synthesis of tert-butyltropolones.
Upstream & downstream products
Downstream products
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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