6-chlorohexoxy-hydroxy-oxophosphanium

C6H13ClO3P+ — CID 87856823

IUPAC6-chlorohexoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCCCCCCl
InChIInChI=1S/C6H12ClO3P/c7-5-3-1-2-4-6-10-11(8)9/h1-6H2/p+1
InChIKeyGFWFIUDNKDGAJS-UHFFFAOYSA-O
MW199.59 g/mol
LogP2.45
Rot. Bonds7

About 6-chlorohexoxy-hydroxy-oxophosphanium

6-chlorohexoxy-hydroxy-oxophosphanium (PubChem CID 87856823) has the molecular formula C6H13ClO3P+ and a molecular weight of 199.59 g/mol. Its IUPAC name is 6-chlorohexoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name6-chlorohexoxy-hydroxy-oxophosphanium
PubChem CID87856823
Molecular FormulaC6H13ClO3P+
Molecular Weight199.59 g/mol
Exact Mass199.03
IUPAC Name6-chlorohexoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCCCCCCCl
InChIInChI=1S/C6H12ClO3P/c7-5-3-1-2-4-6-10-11(8)9/h1-6H2/p+1
InChIKeyGFWFIUDNKDGAJS-UHFFFAOYSA-O
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorohexoxy-hydroxy-oxophosphanium?
The IUPAC name of 6-chlorohexoxy-hydroxy-oxophosphanium (CID 87856823) is 6-chlorohexoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 6-chlorohexoxy-hydroxy-oxophosphanium?
The canonical SMILES for 6-chlorohexoxy-hydroxy-oxophosphanium is O=[P+](O)OCCCCCCCl.
What is the InChIKey of 6-chlorohexoxy-hydroxy-oxophosphanium?
The InChIKey is GFWFIUDNKDGAJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12ClO3P/c7-5-3-1-2-4-6-10-11(8)9/h1-6H2/p+1.
What are the key properties of 6-chlorohexoxy-hydroxy-oxophosphanium?
6-chlorohexoxy-hydroxy-oxophosphanium has a molecular weight of 199.59 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohexoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87856823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).