[(2S)-butan-2-yl]-triphenylphosphanium

C22H24P+ — CID 98044399

IUPAC[(2S)-butan-2-yl]-triphenylphosphanium
SMILESCC[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24P/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1/t19-/m0/s1
InChIKeySGNAKWKXKBREOU-IBGZPJMESA-N
MW319.41 g/mol
LogP4.78
Rot. Bonds5

About [(2S)-butan-2-yl]-triphenylphosphanium

[(2S)-butan-2-yl]-triphenylphosphanium (PubChem CID 98044399) has the molecular formula C22H24P+ and a molecular weight of 319.41 g/mol. Its IUPAC name is [(2S)-butan-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2S)-butan-2-yl]-triphenylphosphanium
PubChem CID98044399
Molecular FormulaC22H24P+
Molecular Weight319.41 g/mol
Exact Mass319.16
IUPAC Name[(2S)-butan-2-yl]-triphenylphosphanium
SMILESCC[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24P/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1/t19-/m0/s1
InChIKeySGNAKWKXKBREOU-IBGZPJMESA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)-butan-2-yl]-triphenylphosphanium?
The IUPAC name of [(2S)-butan-2-yl]-triphenylphosphanium (CID 98044399) is [(2S)-butan-2-yl]-triphenylphosphanium.
What is the SMILES notation for [(2S)-butan-2-yl]-triphenylphosphanium?
The canonical SMILES for [(2S)-butan-2-yl]-triphenylphosphanium is CC[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-butan-2-yl]-triphenylphosphanium?
The InChIKey is SGNAKWKXKBREOU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24P/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1/t19-/m0/s1.
What are the key properties of [(2S)-butan-2-yl]-triphenylphosphanium?
[(2S)-butan-2-yl]-triphenylphosphanium has a molecular weight of 319.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]-triphenylphosphanium is sourced from PubChem (CID 98044399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).