6-hydroxyhexoxy-oxo-sulfanylphosphanium

C6H14O3PS+ — CID 177265997

IUPAC6-hydroxyhexoxy-oxo-sulfanylphosphanium
SMILESO=[P+](S)OCCCCCCO
InChIInChI=1S/C6H13O3PS/c7-5-3-1-2-4-6-9-10(8)11/h7H,1-6H2/p+1
InChIKeyHGIFKEWVIATXHZ-UHFFFAOYSA-O
MW197.22 g/mol
LogP2.14
Rot. Bonds7

About 6-hydroxyhexoxy-oxo-sulfanylphosphanium

6-hydroxyhexoxy-oxo-sulfanylphosphanium (PubChem CID 177265997) has the molecular formula C6H14O3PS+ and a molecular weight of 197.22 g/mol. Its IUPAC name is 6-hydroxyhexoxy-oxo-sulfanylphosphanium.

Molecular Properties

Compound Name6-hydroxyhexoxy-oxo-sulfanylphosphanium
PubChem CID177265997
Molecular FormulaC6H14O3PS+
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name6-hydroxyhexoxy-oxo-sulfanylphosphanium
SMILESO=[P+](S)OCCCCCCO
InChIInChI=1S/C6H13O3PS/c7-5-3-1-2-4-6-9-10(8)11/h7H,1-6H2/p+1
InChIKeyHGIFKEWVIATXHZ-UHFFFAOYSA-O
XLogP2.14
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
CID 57356188
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 23393003
carbonic acid;decane-1,10-diol
CID 174976292
carbonic acid;pentane-1,5-diol
CID 175517734
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
bis(5-hydroxypentyl) carbonate
CID 54559104
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexoxy-oxo-sulfanylphosphanium?
The IUPAC name of 6-hydroxyhexoxy-oxo-sulfanylphosphanium (CID 177265997) is 6-hydroxyhexoxy-oxo-sulfanylphosphanium.
What is the SMILES notation for 6-hydroxyhexoxy-oxo-sulfanylphosphanium?
The canonical SMILES for 6-hydroxyhexoxy-oxo-sulfanylphosphanium is O=[P+](S)OCCCCCCO.
What is the InChIKey of 6-hydroxyhexoxy-oxo-sulfanylphosphanium?
The InChIKey is HGIFKEWVIATXHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13O3PS/c7-5-3-1-2-4-6-9-10(8)11/h7H,1-6H2/p+1.
What are the key properties of 6-hydroxyhexoxy-oxo-sulfanylphosphanium?
6-hydroxyhexoxy-oxo-sulfanylphosphanium has a molecular weight of 197.22 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexoxy-oxo-sulfanylphosphanium is sourced from PubChem (CID 177265997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).