(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium

C27H30P+ — CID 87714746

IUPAC(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium
SMILESCC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCC1CC1
InChIInChI=1S/C27H30P/c1-23(17-18-24-19-20-24)21-22-28(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,21,24H,17-20,22H2,1H3/q+1
InChIKeyZULFLBZROIQSMO-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.12
Rot. Bonds8

About (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium

(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium (PubChem CID 87714746) has the molecular formula C27H30P+ and a molecular weight of 385.51 g/mol. Its IUPAC name is (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium.

Molecular Properties

Compound Name(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium
PubChem CID87714746
Molecular FormulaC27H30P+
Molecular Weight385.51 g/mol
Exact Mass385.21
IUPAC Name(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium
SMILESCC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCC1CC1
InChIInChI=1S/C27H30P/c1-23(17-18-24-19-20-24)21-22-28(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,21,24H,17-20,22H2,1H3/q+1
InChIKeyZULFLBZROIQSMO-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride
CID 158884671
(8-methoxy-3,7-dimethyl-8-oxoocta-2,6-dienyl)-triphenylphosphanium
CID 57349793
cyclopropylmethyl(triphenyl)phosphanium;hydrobromide
CID 123134069
triphenyl-[2-(4-propylidenecyclohexyl)ethyl]phosphanium
CID 18787860
[(4E)-3,7-dimethylocta-2,4,6-trienyl]-triphenylphosphanium
CID 135021083
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
[(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium
CID 139243703
triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide
CID 10995183
3-(4,4-dimethyl-1,3-dioxolan-2-yl)but-2-enyl-triphenylphosphanium chloride
CID 88694962
[(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphanium chloride
CID 87981709
triphenyl-[(2E,4E,6E,8E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaenyl]phosphanium
CID 71533857
cyclobutylmethyl(triphenyl)phosphanium bromide
CID 86583711

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium?
The IUPAC name of (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium (CID 87714746) is (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium.
What is the SMILES notation for (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium?
The canonical SMILES for (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium is CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCC1CC1.
What is the InChIKey of (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium?
The InChIKey is ZULFLBZROIQSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30P/c1-23(17-18-24-19-20-24)21-22-28(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,21,24H,17-20,22H2,1H3/q+1.
What are the key properties of (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium?
(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium has a molecular weight of 385.51 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium is sourced from PubChem (CID 87714746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).