[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium

C22H24OP+ — CID 154291096

IUPAC[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium
SMILESCC1(C)C2CC=C(C([PH+]=O)(c3ccccc3)c3ccccc3)C1C2
InChIInChI=1S/C22H23OP/c1-21(2)18-13-14-19(20(21)15-18)22(24-23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,18,20H,13,15H2,1-2H3/p+1
InChIKeyXSAKZTYEJWUAOL-UHFFFAOYSA-O
MW335.41 g/mol
LogP5.95
Rot. Bonds4

About [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium

[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium (PubChem CID 154291096) has the molecular formula C22H24OP+ and a molecular weight of 335.41 g/mol. Its IUPAC name is [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium.

Molecular Properties

Compound Name[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium
PubChem CID154291096
Molecular FormulaC22H24OP+
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium
SMILESCC1(C)C2CC=C(C([PH+]=O)(c3ccccc3)c3ccccc3)C1C2
InChIInChI=1S/C22H23OP/c1-21(2)18-13-14-19(20(21)15-18)22(24-23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,18,20H,13,15H2,1-2H3/p+1
InChIKeyXSAKZTYEJWUAOL-UHFFFAOYSA-O
XLogP5.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 18955825
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone
CID 590903
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl] phenylmethanesulfonate
CID 141433890
2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2-methylbutanenitrile
CID 141352226
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 101193017
6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 58426752
[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl benzoate
CID 11868389
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
CID 1201529
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl] trifluoromethanesulfonate
CID 86611523
(1R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]hept-2-ene;ethane
CID 142872108
2-[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2-hydroxypropan-2-yl]phenol
CID 11097689
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]propanoic acid
CID 130925830

Frequently Asked Questions

What is the IUPAC name of [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium?
The IUPAC name of [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium (CID 154291096) is [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium.
What is the SMILES notation for [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium?
The canonical SMILES for [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium is CC1(C)C2CC=C(C([PH+]=O)(c3ccccc3)c3ccccc3)C1C2.
What is the InChIKey of [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium?
The InChIKey is XSAKZTYEJWUAOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23OP/c1-21(2)18-13-14-19(20(21)15-18)22(24-23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,18,20H,13,15H2,1-2H3/p+1.
What are the key properties of [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium?
[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium has a molecular weight of 335.41 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium is sourced from PubChem (CID 154291096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).