dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane

C31H44P2 — CID 129406680

IUPACdicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
SMILESC[C@@H]([C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H44P2/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29/h4-5,10-13,19-22,25-27,30-31H,2-3,6-9,14-18,23-24H2,1H3/t25-,30-,31+/m0/s1
InChIKeyIHERDRRKNNMAEF-LGXAAPQCSA-N
MW478.64 g/mol
LogP8.82
Rot. Bonds7

About dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane

dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane (PubChem CID 129406680) has the molecular formula C31H44P2 and a molecular weight of 478.64 g/mol. Its IUPAC name is dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
PubChem CID129406680
Molecular FormulaC31H44P2
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Namedicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
SMILESC[C@@H]([C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H44P2/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29/h4-5,10-13,19-22,25-27,30-31H,2-3,6-9,14-18,23-24H2,1H3/t25-,30-,31+/m0/s1
InChIKeyIHERDRRKNNMAEF-LGXAAPQCSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane?
The IUPAC name of dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane (CID 129406680) is dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane is C[C@@H]([C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane?
The InChIKey is IHERDRRKNNMAEF-LGXAAPQCSA-N. The full InChI is InChI=1S/C31H44P2/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29/h4-5,10-13,19-22,25-27,30-31H,2-3,6-9,14-18,23-24H2,1H3/t25-,30-,31+/m0/s1.
What are the key properties of dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane?
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane has a molecular weight of 478.64 g/mol, XLogP of 8.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane is sourced from PubChem (CID 129406680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).