[(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium

C30H45P2+ — CID 155326354

IUPAC[(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium
SMILESCC[P+](CC)(C1CCCC1)[C@H]1CCC[C@H]1C(C)P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C30H45P2/c1-6-32(7-2,26-17-10-11-18-26)30-22-14-19-27(30)25(5)31(28-20-12-8-15-23(28)3)29-21-13-9-16-24(29)4/h8-9,12-13,15-16,20-21,25-27,30H,6-7,10-11,14,17-19,22H2,1-5H3/q+1/t25?,27-,30-/m0/s1
InChIKeyYUTDQBJHXIETKN-KVIWRLORSA-N
MW467.64 g/mol
LogP8.29
Rot. Bonds8

About [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium

[(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium (PubChem CID 155326354) has the molecular formula C30H45P2+ and a molecular weight of 467.64 g/mol. Its IUPAC name is [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium.

Molecular Properties

Compound Name[(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium
PubChem CID155326354
Molecular FormulaC30H45P2+
Molecular Weight467.64 g/mol
Exact Mass467.30
IUPAC Name[(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium
SMILESCC[P+](CC)(C1CCCC1)[C@H]1CCC[C@H]1C(C)P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C30H45P2/c1-6-32(7-2,26-17-10-11-18-26)30-22-14-19-27(30)25(5)31(28-20-12-8-15-23(28)3)29-21-13-9-16-24(29)4/h8-9,12-13,15-16,20-21,25-27,30H,6-7,10-11,14,17-19,22H2,1-5H3/q+1/t25?,27-,30-/m0/s1
InChIKeyYUTDQBJHXIETKN-KVIWRLORSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Benzyltributylphosphonium chloride
CID 200231
Tris(2-methylpropyl)-[[4-[[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide
CID 57341643
(Ethane-1,2-diyl)bis[bis(4-methylphenyl)phosphane]
CID 12029122
Dicyclohexyl(2-methylphenyl)phosphine
CID 560927
Dicyclohexyl(4-isopropylphenyl)phosphine
CID 71310799
2-Bis(3-methylphenyl)phosphanylethyl-bis(3-methylphenyl)phosphane
CID 13983268
1,5-Diphenyl-3-(3-cyclopentylpropyl)pentane
CID 278083
Benzyl(2-butenyl)diphenylphosphorane
CID 6104258
Triethyl-[[4-[[4-(triethylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide
CID 57341639
(R)-(-)-1-[(S)-2-(Bis(4-trifluoromethylphenyl)phosphino)ferrocenyl]ethyl-di-t-butylphosphine
CID 16218683
5-(2-Diphenylphosphinoethyl)-1,2,3,4-tetra-methylcyclopentadiene
CID 10947629
Bis(1,1-dimethylethyl)(2'-(1-methylethyl)(1,1'-biphenyl)-2-yl)phosphine
CID 11348396

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium?
The IUPAC name of [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium (CID 155326354) is [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium.
What is the SMILES notation for [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium?
The canonical SMILES for [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium is CC[P+](CC)(C1CCCC1)[C@H]1CCC[C@H]1C(C)P(c1ccccc1C)c1ccccc1C.
What is the InChIKey of [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium?
The InChIKey is YUTDQBJHXIETKN-KVIWRLORSA-N. The full InChI is InChI=1S/C30H45P2/c1-6-32(7-2,26-17-10-11-18-26)30-22-14-19-27(30)25(5)31(28-20-12-8-15-23(28)3)29-21-13-9-16-24(29)4/h8-9,12-13,15-16,20-21,25-27,30H,6-7,10-11,14,17-19,22H2,1-5H3/q+1/t25?,27-,30-/m0/s1.
What are the key properties of [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium?
[(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium has a molecular weight of 467.64 g/mol, XLogP of 8.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-cyclopentyl-diethylphosphanium is sourced from PubChem (CID 155326354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).