methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium

C19H22OP+ — CID 70618338

IUPACmethyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium
SMILESC[P+](/C=C1/CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22OP/c1-21(18-11-4-2-5-12-18,19-13-6-3-7-14-19)16-17-10-8-9-15-20-17/h2-7,11-14,16H,8-10,15H2,1H3/q+1/b17-16-
InChIKeyNACCRGUYDRHJRN-MSUUIHNZSA-N
MW297.36 g/mol
LogP4.33
Rot. Bonds3

About methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium

methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium (PubChem CID 70618338) has the molecular formula C19H22OP+ and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium.

Molecular Properties

Compound Namemethyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium
PubChem CID70618338
Molecular FormulaC19H22OP+
Molecular Weight297.36 g/mol
Exact Mass297.14
IUPAC Namemethyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium
SMILESC[P+](/C=C1/CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22OP/c1-21(18-11-4-2-5-12-18,19-13-6-3-7-14-19)16-17-10-8-9-15-20-17/h2-7,11-14,16H,8-10,15H2,1H3/q+1/b17-16-
InChIKeyNACCRGUYDRHJRN-MSUUIHNZSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-ylidenemethyl(triphenyl)phosphanium chloride
CID 71387391
(1-carboxy-1-phenylbutan-2-yl)-dihydroxy-(oxolan-2-ylidenemethyl)phosphanium
CID 56989826
tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium
CID 88804716
tris(4-fluorophenyl)-(oxolan-2-ylidenemethyl)phosphanium chloride
CID 88804715
methane;methyl-[(Z)-2-[methyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium
CID 159812566
triethyl(phenyl)phosphanium chloride
CID 21464749
3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium
CID 91929123
oxepan-2-one;phenylselanylbenzene
CID 175535328
oxan-2-one;pyridine
CID 175461259
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
2,3-diphenylbutanoic acid;oxacyclohexadecan-2-one
CID 174848534
oxepan-2-one;styrene
CID 129313990

Frequently Asked Questions

What is the IUPAC name of methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium?
The IUPAC name of methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium (CID 70618338) is methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium.
What is the SMILES notation for methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium?
The canonical SMILES for methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium is C[P+](/C=C1/CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium?
The InChIKey is NACCRGUYDRHJRN-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H22OP/c1-21(18-11-4-2-5-12-18,19-13-6-3-7-14-19)16-17-10-8-9-15-20-17/h2-7,11-14,16H,8-10,15H2,1H3/q+1/b17-16-.
What are the key properties of methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium?
methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium has a molecular weight of 297.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-oxan-2-ylidenemethyl]-diphenylphosphanium is sourced from PubChem (CID 70618338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).