Basic information
- CAS
120229-54-1- Standard SMILES
CC(=O)C1(C)OC2C3C4C3C4C21- InChIKey
ZIHFUSNTCXCKDQ-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
Names & identifiers
- Preferred name
- 7-Oxatetracyclo[4.2.0.0(2,4).0(3,5)]octane, 8-acetyl-8-methyl-
- IUPAC
- 1-(8-methyl-7-oxatetracyclo[4.2.0.02,4.03,5]octan-8-yl)ethanone
- English name
- Ethanone, 1-(8-methyl-7-oxatetracyclo[4.2.0.02,4.03,5]oct-8-yl)-, stereoisomer
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
120229-54-11-(8-methyl-7-oxatetracyclo[4.2.0.02,4.03,5]octan-8-yl)ethanone7-Oxatetracyclo[4.2.0.0(2,4).0(3,5)]octane, 8-acetyl-8-methyl-Ethanone, 1-(8-methyl-7-oxatetracyclo[4.2.0.02,4.03,5]oct-8-yl)-, stereoisomerZIHFUSNTCXCKDQ-UHFFFAOYSA-NEthanone, 1-(8-methyl-7-oxatetracyclo[4.2.0.02,4.03,5]oct-8-yl)-, stereoisomer (9CI)
Database identifiers
- CAS
120229-54-1
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 245.7 · 245.7±23.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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