[(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium

C10H23NO3P+ — CID 167207307

IUPAC[(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium
SMILESCC[C@@H](CO[P+](=O)N(C)C)O[C@@H](C)CC
InChIInChI=1S/C10H23NO3P/c1-6-9(3)14-10(7-2)8-13-15(12)11(4)5/h9-10H,6-8H2,1-5H3/q+1/t9-,10-/m0/s1
InChIKeyNQHVAPSICXITDJ-UWVGGRQHSA-N
MW236.27 g/mol
LogP2.82
Rot. Bonds8

About [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium

[(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium (PubChem CID 167207307) has the molecular formula C10H23NO3P+ and a molecular weight of 236.27 g/mol. Its IUPAC name is [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium.

Molecular Properties

Compound Name[(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium
PubChem CID167207307
Molecular FormulaC10H23NO3P+
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name[(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium
SMILESCC[C@@H](CO[P+](=O)N(C)C)O[C@@H](C)CC
InChIInChI=1S/C10H23NO3P/c1-6-9(3)14-10(7-2)8-13-15(12)11(4)5/h9-10H,6-8H2,1-5H3/q+1/t9-,10-/m0/s1
InChIKeyNQHVAPSICXITDJ-UWVGGRQHSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium?
The IUPAC name of [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium (CID 167207307) is [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium.
What is the SMILES notation for [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium?
The canonical SMILES for [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium is CC[C@@H](CO[P+](=O)N(C)C)O[C@@H](C)CC.
What is the InChIKey of [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium?
The InChIKey is NQHVAPSICXITDJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H23NO3P/c1-6-9(3)14-10(7-2)8-13-15(12)11(4)5/h9-10H,6-8H2,1-5H3/q+1/t9-,10-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium?
[(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium has a molecular weight of 236.27 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S)-butan-2-yl]oxybutoxy]-(dimethylamino)-oxophosphanium is sourced from PubChem (CID 167207307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).