(5-methyloxolan-2-ylidene)methyl-triphenylphosphanium

C24H24OP+ — CID 86738081

IUPAC(5-methyloxolan-2-ylidene)methyl-triphenylphosphanium
SMILESCC1CCC(=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H24OP/c1-20-17-18-21(25-20)19-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19-20H,17-18H2,1H3/q+1
InChIKeyHTXQXPKYRQBDEW-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.02
Rot. Bonds4

About (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium

(5-methyloxolan-2-ylidene)methyl-triphenylphosphanium (PubChem CID 86738081) has the molecular formula C24H24OP+ and a molecular weight of 359.43 g/mol. Its IUPAC name is (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(5-methyloxolan-2-ylidene)methyl-triphenylphosphanium
PubChem CID86738081
Molecular FormulaC24H24OP+
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(5-methyloxolan-2-ylidene)methyl-triphenylphosphanium
SMILESCC1CCC(=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H24OP/c1-20-17-18-21(25-20)19-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19-20H,17-18H2,1H3/q+1
InChIKeyHTXQXPKYRQBDEW-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.02
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 (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium?
The IUPAC name of (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium (CID 86738081) is (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium.
What is the SMILES notation for (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium?
The canonical SMILES for (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium is CC1CCC(=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium?
The InChIKey is HTXQXPKYRQBDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24OP/c1-20-17-18-21(25-20)19-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19-20H,17-18H2,1H3/q+1.
What are the key properties of (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium?
(5-methyloxolan-2-ylidene)methyl-triphenylphosphanium has a molecular weight of 359.43 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-ylidene)methyl-triphenylphosphanium is sourced from PubChem (CID 86738081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).