[(2R)-heptan-2-yl]-triphenylphosphanium

C25H30P+ — CID 98534307

IUPAC[(2R)-heptan-2-yl]-triphenylphosphanium
SMILESCCCCC[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30P/c1-3-4-8-15-22(2)26(23-16-9-5-10-17-23,24-18-11-6-12-19-24)25-20-13-7-14-21-25/h5-7,9-14,16-22H,3-4,8,15H2,1-2H3/q+1/t22-/m1/s1
InChIKeyMMSXRMQYGVEERB-JOCHJYFZSA-N
MW361.49 g/mol
LogP5.95
Rot. Bonds8

About [(2R)-heptan-2-yl]-triphenylphosphanium

[(2R)-heptan-2-yl]-triphenylphosphanium (PubChem CID 98534307) has the molecular formula C25H30P+ and a molecular weight of 361.49 g/mol. Its IUPAC name is [(2R)-heptan-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2R)-heptan-2-yl]-triphenylphosphanium
PubChem CID98534307
Molecular FormulaC25H30P+
Molecular Weight361.49 g/mol
Exact Mass361.21
IUPAC Name[(2R)-heptan-2-yl]-triphenylphosphanium
SMILESCCCCC[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30P/c1-3-4-8-15-22(2)26(23-16-9-5-10-17-23,24-18-11-6-12-19-24)25-20-13-7-14-21-25/h5-7,9-14,16-22H,3-4,8,15H2,1-2H3/q+1/t22-/m1/s1
InChIKeyMMSXRMQYGVEERB-JOCHJYFZSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentan-2-yl(triphenyl)phosphanium iodide
CID 161138332
6-methyloctan-2-yl(triphenyl)phosphanium
CID 138474371
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
triphenyl(1-phenylnonyl)phosphanium bromide
CID 90019945
decyl-dimethyl-phenylphosphanium
CID 67813887
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl-dimethyl-phenylphosphanium chloride
CID 22117723
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859

Frequently Asked Questions

What is the IUPAC name of [(2R)-heptan-2-yl]-triphenylphosphanium?
The IUPAC name of [(2R)-heptan-2-yl]-triphenylphosphanium (CID 98534307) is [(2R)-heptan-2-yl]-triphenylphosphanium.
What is the SMILES notation for [(2R)-heptan-2-yl]-triphenylphosphanium?
The canonical SMILES for [(2R)-heptan-2-yl]-triphenylphosphanium is CCCCC[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-heptan-2-yl]-triphenylphosphanium?
The InChIKey is MMSXRMQYGVEERB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30P/c1-3-4-8-15-22(2)26(23-16-9-5-10-17-23,24-18-11-6-12-19-24)25-20-13-7-14-21-25/h5-7,9-14,16-22H,3-4,8,15H2,1-2H3/q+1/t22-/m1/s1.
What are the key properties of [(2R)-heptan-2-yl]-triphenylphosphanium?
[(2R)-heptan-2-yl]-triphenylphosphanium has a molecular weight of 361.49 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-heptan-2-yl]-triphenylphosphanium is sourced from PubChem (CID 98534307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).