Basic information
- CAS
101030-77-7- Standard SMILES
c1cc2ccc3cc4c(c5ccc(c1)c2c35)CCC1OC1C4- InChIKey
GXPGBCCQKKYQHP-UHFFFAOYSA-N- Molecular formula
- C21H16O
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.12011513
Names & identifiers
- Preferred name
- 7a,8a,9,10-Tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene
- IUPAC
- 6-oxahexacyclo[12.6.2.02,9.05,7.011,21.018,22]docosa-1(21),2(9),10,12,14(22),15,17,19-octaene
- English name
- 8,9,10,11-Tetrahydro-8,9-epoxy-7H-cyclohepta[a]pyrene
- Molecular formula
- C21H16O
- Molecular weight
- 284.35
Names & synonyms
101030-77-710H,11H-Cycloheptapyrene 8,9-oxide7a,8a,9,10-tetrahydro-7h-pyreno[1',2':5,6]cyclohepta[1,2-b]oxirene8,9,10,11-Tetrahydro-8,9-epoxy-7H-cyclohepta[a]pyrene8,9-Epoxy-8,9,10,11-tetrahydro-7H-cyclohepta(a)pyrene7H-CYCLOHEPTA(a)PYRENE, 8,9,10,11-TETRAHYDRO-8,9-EPOXY-DTXSID409059096-oxahexacyclo[12.6.2.02,9.05,7.011,21.018,22]docosa-1(21),2(9),10,12,14(22),15,17,19-octaene7H-Pyreno[2',1':4,5]cyclohept[1,2-b]oxirene, 7a,8a,9,10-tetrahydro-
Database identifiers
- CAS
101030-77-7- PubChem CID
- 58161
- DTXSID
DTXSID40905909- Nikkaji
- J75.301G
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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