benzyl-octyl-oxophosphanium

C15H24OP+ — CID 19938725

IUPACbenzyl-octyl-oxophosphanium
SMILESCCCCCCCC[P+](=O)Cc1ccccc1
InChIInChI=1S/C15H24OP/c1-2-3-4-5-6-10-13-17(16)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3/q+1
InChIKeyOLYPUDABMOMSBD-UHFFFAOYSA-N
MW251.33 g/mol
LogP5.37
Rot. Bonds9

About benzyl-octyl-oxophosphanium

benzyl-octyl-oxophosphanium (PubChem CID 19938725) has the molecular formula C15H24OP+ and a molecular weight of 251.33 g/mol. Its IUPAC name is benzyl-octyl-oxophosphanium.

Molecular Properties

Compound Namebenzyl-octyl-oxophosphanium
PubChem CID19938725
Molecular FormulaC15H24OP+
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namebenzyl-octyl-oxophosphanium
SMILESCCCCCCCC[P+](=O)Cc1ccccc1
InChIInChI=1S/C15H24OP/c1-2-3-4-5-6-10-13-17(16)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3/q+1
InChIKeyOLYPUDABMOMSBD-UHFFFAOYSA-N
XLogP5.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.33
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hexakis(decane);ethylbenzene
CID 173398562
hexyl-oxo-phenoxyphosphanium
CID 67135564
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
1-phenylheptadecan-2-one
CID 12920609

Frequently Asked Questions

What is the IUPAC name of benzyl-octyl-oxophosphanium?
The IUPAC name of benzyl-octyl-oxophosphanium (CID 19938725) is benzyl-octyl-oxophosphanium.
What is the SMILES notation for benzyl-octyl-oxophosphanium?
The canonical SMILES for benzyl-octyl-oxophosphanium is CCCCCCCC[P+](=O)Cc1ccccc1.
What is the InChIKey of benzyl-octyl-oxophosphanium?
The InChIKey is OLYPUDABMOMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OP/c1-2-3-4-5-6-10-13-17(16)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3/q+1.
What are the key properties of benzyl-octyl-oxophosphanium?
benzyl-octyl-oxophosphanium has a molecular weight of 251.33 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-octyl-oxophosphanium is sourced from PubChem (CID 19938725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).