oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride

C23H22ClOP — CID 71387391

IUPACoxolan-2-ylidenemethyl(triphenyl)phosphanium chloride
SMILESC(=C1CCCO1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C23H22OP.ClH/c1-4-12-21(13-5-1)25(19-20-11-10-18-24-20,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-9,12-17,19H,10-11,18H2;1H/q+1;/p-1
InChIKeyDYWBKLXDWHDEAR-UHFFFAOYSA-M
MW380.86 g/mol
LogP1.64
Rot. Bonds4

About oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride

oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride (PubChem CID 71387391) has the molecular formula C23H22ClOP and a molecular weight of 380.86 g/mol. Its IUPAC name is oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Nameoxolan-2-ylidenemethyl(triphenyl)phosphanium chloride
PubChem CID71387391
Molecular FormulaC23H22ClOP
Molecular Weight380.86 g/mol
Exact Mass380.11
IUPAC Nameoxolan-2-ylidenemethyl(triphenyl)phosphanium chloride
SMILESC(=C1CCCO1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C23H22OP.ClH/c1-4-12-21(13-5-1)25(19-20-11-10-18-24-20,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-9,12-17,19H,10-11,18H2;1H/q+1;/p-1
InChIKeyDYWBKLXDWHDEAR-UHFFFAOYSA-M
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride?
The IUPAC name of oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride (CID 71387391) is oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride?
The canonical SMILES for oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride is C(=C1CCCO1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride?
The InChIKey is DYWBKLXDWHDEAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22OP.ClH/c1-4-12-21(13-5-1)25(19-20-11-10-18-24-20,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-9,12-17,19H,10-11,18H2;1H/q+1;/p-1.
What are the key properties of oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride?
oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride has a molecular weight of 380.86 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 71387391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).