Basic information
- CAS
18680-30-3- Standard SMILES
CC1(C)[C@@H]2CC[C@@]3(CO3)[C@H]1C2- InChIKey
OUXAABAEPHHZPC-KHQFGBGNSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- (1S,2S,5R)-(+)-2,10-Epoxypinane
- IUPAC
- (1S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
- English name
- [1S-(1alpha,2alpha,5alpha)]-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
18680-30-3D9W45QME6N(1S,2S,5R)-6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane](1S-(1alpha,2beta,5alpha))-6,6-Dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)(1S,2S,5R)-(+)-2,10-Epoxypinane(1S,2S,5R)-7,7-Dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)OUXAABAEPHHZPC-KHQFGBGNSA-NEINECS 242-498-4UNII-D9W45QME6NDTXSID401170650[1S-(1alpha,2alpha,5alpha)]-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2/'-oxirane]Pinane, 2,10-epoxy-, (1S,2S,5R)-(+)-
Show more names
[1S-(1alpha,2alpha,5alpha)]-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
(1S,2S,5R)-6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,2a(2)-oxirane]SPIRO(BICYCLO(3.1.1)HEPTANE-2,2'-OXIRANE), 6,6-DIMETHYL-, (1S,2S,5R)-
Database identifiers
- CAS
18680-30-3- PubChem CID
- 87749
- DTXSID
DTXSID401170650- UNII
- D9W45QME6N
- EC Number
- 242-498-4
- Nikkaji
- J222.273F
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
- 209
Physicochemical properties
- Melting point
- 18.5 °C · 18.5 °C
- Boiling point
- 202.146 · 202.146±0.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.043 · 1.043±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FDA UNII
- 9 W45QME6N · D9W45QME6N
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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