hydroxy-(12-hydroxydodecoxy)-oxophosphanium

C12H26O4P+ — CID 172856104

IUPAChydroxy-(12-hydroxydodecoxy)-oxophosphanium
SMILESO=[P+](O)OCCCCCCCCCCCCO
InChIInChI=1S/C12H25O4P/c13-11-9-7-5-3-1-2-4-6-8-10-12-16-17(14)15/h13H,1-12H2/p+1
InChIKeyNHULWYQJNFMNEW-UHFFFAOYSA-O
MW265.31 g/mol
LogP3.55
Rot. Bonds13

About hydroxy-(12-hydroxydodecoxy)-oxophosphanium

hydroxy-(12-hydroxydodecoxy)-oxophosphanium (PubChem CID 172856104) has the molecular formula C12H26O4P+ and a molecular weight of 265.31 g/mol. Its IUPAC name is hydroxy-(12-hydroxydodecoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(12-hydroxydodecoxy)-oxophosphanium
PubChem CID172856104
Molecular FormulaC12H26O4P+
Molecular Weight265.31 g/mol
Exact Mass265.16
IUPAC Namehydroxy-(12-hydroxydodecoxy)-oxophosphanium
SMILESO=[P+](O)OCCCCCCCCCCCCO
InChIInChI=1S/C12H25O4P/c13-11-9-7-5-3-1-2-4-6-8-10-12-16-17(14)15/h13H,1-12H2/p+1
InChIKeyNHULWYQJNFMNEW-UHFFFAOYSA-O
XLogP3.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.55
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'}

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Related Compounds

6-hydroxyhexoxy-oxo-sulfanylphosphanium
CID 177265997
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
4-bromobutoxy-hydroxy-oxophosphanium
CID 13262446
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
CID 57356188
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
hydroxy-oxo-(4-oxobutoxy)phosphanium
CID 172768343

Frequently Asked Questions

What is the IUPAC name of hydroxy-(12-hydroxydodecoxy)-oxophosphanium?
The IUPAC name of hydroxy-(12-hydroxydodecoxy)-oxophosphanium (CID 172856104) is hydroxy-(12-hydroxydodecoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(12-hydroxydodecoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(12-hydroxydodecoxy)-oxophosphanium is O=[P+](O)OCCCCCCCCCCCCO.
What is the InChIKey of hydroxy-(12-hydroxydodecoxy)-oxophosphanium?
The InChIKey is NHULWYQJNFMNEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25O4P/c13-11-9-7-5-3-1-2-4-6-8-10-12-16-17(14)15/h13H,1-12H2/p+1.
What are the key properties of hydroxy-(12-hydroxydodecoxy)-oxophosphanium?
hydroxy-(12-hydroxydodecoxy)-oxophosphanium has a molecular weight of 265.31 g/mol, XLogP of 3.55, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(12-hydroxydodecoxy)-oxophosphanium is sourced from PubChem (CID 172856104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).