2-octyl-4H-1,3,2-benzodioxaphosphorin-2-oxide
PubChem CID
178667
Structure
Molecular Formula
Synonyms
- 2-Octyl-4H-1,3,2-benzodioxaphosphorin 2-oxide
- 142840-32-2
- 2-octyl-4H-1,3,2-benzodioxaphosphorin-2-oxide
- 4H-1,3,2-Benzodioxaphosphorin, 2-octyl-, 2-oxide
- 2-octyl-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxide
Molecular Weight
282.31 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-09
- Modify:2025-01-18
Chemical Structure Depiction
2-octyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H23O3P/c1-2-3-4-5-6-9-12-19(16)17-13-14-10-7-8-11-15(14)18-19/h7-8,10-11H,2-6,9,12-13H2,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
YTURVHUJFLMJCA-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCCCCCCCP1(=O)OCC2=CC=CC=C2O1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H23O3P
Computed by PubChem 2.2 (PubChem release 2024.11.20)
142840-32-2
152948-51-1
- 2-octyl-4H-1,3,2-benzodioxaphosphorin-2-oxide
- octyl-BDPO
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
282.31 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
4.3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
282.13848159 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
282.13848159 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
35.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
306
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplus2-Octyl-4H-1,3,2-benzodioxaphosphorin-2-oxidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0142840322ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-Octyl-2H,4H-1,3,2lambda~5~-benzodioxaphosphinin-2-onehttps://comptox.epa.gov/dashboard/DTXSID00931663CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jsp2-octyl-4H-1,3,2-benzodioxaphosphorin-2-oxidehttps://ctdbase.org/detail.go?type=chem&acc=C092561
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidata2-Octyl-2H,4H-1,3,2lambda~5~-benzodioxaphosphinin-2-onehttps://www.wikidata.org/wiki/Q82907240
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html2-octyl-4H-1,3,2-benzodioxaphosphorin-2-oxidehttps://www.ncbi.nlm.nih.gov/mesh/67092561
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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