octan-2-yloxy-oxido-oxophosphanium

C8H17O3P — CID 71332978

IUPACoctan-2-yloxy-oxido-oxophosphanium
SMILESCCCCCCC(C)O[P+](=O)[O-]
InChIInChI=1S/C8H17O3P/c1-3-4-5-6-7-8(2)11-12(9)10/h8H,3-7H2,1-2H3
InChIKeyOURLQPKHGAJMKY-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.38
Rot. Bonds7

About octan-2-yloxy-oxido-oxophosphanium

octan-2-yloxy-oxido-oxophosphanium (PubChem CID 71332978) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is octan-2-yloxy-oxido-oxophosphanium.

Molecular Properties

Compound Nameoctan-2-yloxy-oxido-oxophosphanium
PubChem CID71332978
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Nameoctan-2-yloxy-oxido-oxophosphanium
SMILESCCCCCCC(C)O[P+](=O)[O-]
InChIInChI=1S/C8H17O3P/c1-3-4-5-6-7-8(2)11-12(9)10/h8H,3-7H2,1-2H3
InChIKeyOURLQPKHGAJMKY-UHFFFAOYSA-N
XLogP2.38
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

di(octan-2-yloxy)-oxophosphanium;molybdenum
CID 162055001
tris(icosan-10-yloxy-oxido-oxophosphanium);neodymium(3+)
CID 159432033
neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium
CID 87549293
nonadecan-2-yl phosphate
CID 21219886
dioctan-2-yl phosphate;iron(2+)
CID 157379729
dipotassium;tridecan-2-yl phosphate
CID 139671549
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
decan-2-yloxy(methyl)phosphinate
CID 170850603
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
tetradecan-2-yloxysilane
CID 173015270
2-ethoxytridecane
CID 54143367
O-hexadecan-2-ylhydroxylamine
CID 18799052

Frequently Asked Questions

What is the IUPAC name of octan-2-yloxy-oxido-oxophosphanium?
The IUPAC name of octan-2-yloxy-oxido-oxophosphanium (CID 71332978) is octan-2-yloxy-oxido-oxophosphanium.
What is the SMILES notation for octan-2-yloxy-oxido-oxophosphanium?
The canonical SMILES for octan-2-yloxy-oxido-oxophosphanium is CCCCCCC(C)O[P+](=O)[O-].
What is the InChIKey of octan-2-yloxy-oxido-oxophosphanium?
The InChIKey is OURLQPKHGAJMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-3-4-5-6-7-8(2)11-12(9)10/h8H,3-7H2,1-2H3.
What are the key properties of octan-2-yloxy-oxido-oxophosphanium?
octan-2-yloxy-oxido-oxophosphanium has a molecular weight of 192.19 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yloxy-oxido-oxophosphanium is sourced from PubChem (CID 71332978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).