butoxy-butyl-oxophosphanium

C8H18O2P+ — CID 13263152

IUPACbutoxy-butyl-oxophosphanium
SMILESCCCCO[P+](=O)CCCC
InChIInChI=1S/C8H18O2P/c1-3-5-7-10-11(9)8-6-4-2/h3-8H2,1-2H3/q+1
InChIKeyODSPHRDLXYGYFC-UHFFFAOYSA-N
MW177.20 g/mol
LogP3.35
Rot. Bonds7

About butoxy-butyl-oxophosphanium

butoxy-butyl-oxophosphanium (PubChem CID 13263152) has the molecular formula C8H18O2P+ and a molecular weight of 177.20 g/mol. Its IUPAC name is butoxy-butyl-oxophosphanium.

Molecular Properties

Compound Namebutoxy-butyl-oxophosphanium
PubChem CID13263152
Molecular FormulaC8H18O2P+
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Namebutoxy-butyl-oxophosphanium
SMILESCCCCO[P+](=O)CCCC
InChIInChI=1S/C8H18O2P/c1-3-5-7-10-11(9)8-6-4-2/h3-8H2,1-2H3/q+1
InChIKeyODSPHRDLXYGYFC-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-butyl-oxophosphanium?
The IUPAC name of butoxy-butyl-oxophosphanium (CID 13263152) is butoxy-butyl-oxophosphanium.
What is the SMILES notation for butoxy-butyl-oxophosphanium?
The canonical SMILES for butoxy-butyl-oxophosphanium is CCCCO[P+](=O)CCCC.
What is the InChIKey of butoxy-butyl-oxophosphanium?
The InChIKey is ODSPHRDLXYGYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2P/c1-3-5-7-10-11(9)8-6-4-2/h3-8H2,1-2H3/q+1.
What are the key properties of butoxy-butyl-oxophosphanium?
butoxy-butyl-oxophosphanium has a molecular weight of 177.20 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-butyl-oxophosphanium is sourced from PubChem (CID 13263152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).