Basic information
- CAS
61213-72-7- Standard SMILES
CCCCCCCCOCP1(=S)CC(C)=C(C)C1- InChIKey
NAYJNTCMWUDZDW-UHFFFAOYSA-N- Molecular formula
- C15H29OPS
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.16767372
Names & identifiers
- Preferred name
- 3,4-Dimethyl-1-[(octyloxy)methyl]-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione
- IUPAC
- 3,4-dimethyl-1-(octoxymethyl)-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
Names & synonyms
61213-72-7DTXSID408195523,4-Dimethyl-1-[(octyloxy)methyl]-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione
Database identifiers
- CAS
61213-72-7- PubChem CID
- 71398103
- DTXSID
DTXSID40819552
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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