Basic information
- CAS
21218-11-1- Standard SMILES
CC12CC3C(CC1O2)C3(C)C- InChIKey
AGHSZSJVJPSERC-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane
- IUPAC
- 3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
- English name
- 3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2225-98-13,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane3,8,8-Trimethyl-4-oxatricyclo[5.1.0.0,3,5]octane3,4-epoxycarane3-carene oxide3,8,8-Trimethyl-4-oxatricyclo(5.1.0.03,5)octaneNSC96745EINECS 218-753-03,8,8-Trimethyl-4-oxatricyclo[5.1.0.0~3,5~]octaneSCHEMBL1261773DTXSID20124138421218-11-1
Show more names
Carane oxide4-Oxatricyclo[5.1.0.03,5]octane, 3,8,8-trimethyl-
CAA22598EINECS 244-280-4EINECS 252-664-8NSC 96745NSC-96745NS00042324EN300-248203G40187
Database identifiers
- CAS
21218-11-1、2225-98-1、35671-18-2- PubChem CID
- 89467
- DTXSID
DTXSID201241384- EC Number
- 218-753-0、244-280-4
- Nikkaji
- J299.186A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 155 · 155-159 °C(Press: 99 Torr)
- Density
- 0.9794 g/cm3 · 0.9794 g/cm3(Temp: 30 °C)
Chemistry & industry
Suppliers6 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
6 records
Compound notes
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