cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane

C29H39P — CID 59045125

IUPACcyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane
SMILESc1ccc(C2CCCC2CP(CC2CCCC2c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C29H39P/c1-3-11-23(12-4-1)28-19-9-15-25(28)21-30(27-17-7-8-18-27)22-26-16-10-20-29(26)24-13-5-2-6-14-24/h1-6,11-14,25-29H,7-10,15-22H2
InChIKeyAOPABLNNORRREK-UHFFFAOYSA-N
MW418.61 g/mol
LogP8.58
Rot. Bonds7

About cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane

cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane (PubChem CID 59045125) has the molecular formula C29H39P and a molecular weight of 418.61 g/mol. Its IUPAC name is cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane.

Molecular Properties

Compound Namecyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane
PubChem CID59045125
Molecular FormulaC29H39P
Molecular Weight418.61 g/mol
Exact Mass418.28
IUPAC Namecyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane
SMILESc1ccc(C2CCCC2CP(CC2CCCC2c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C29H39P/c1-3-11-23(12-4-1)28-19-9-15-25(28)21-30(27-17-7-8-18-27)22-26-16-10-20-29(26)24-13-5-2-6-14-24/h1-6,11-14,25-29H,7-10,15-22H2
InChIKeyAOPABLNNORRREK-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 58.58
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 cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane?
The IUPAC name of cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane (CID 59045125) is cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane.
What is the SMILES notation for cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane?
The canonical SMILES for cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane is c1ccc(C2CCCC2CP(CC2CCCC2c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane?
The InChIKey is AOPABLNNORRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39P/c1-3-11-23(12-4-1)28-19-9-15-25(28)21-30(27-17-7-8-18-27)22-26-16-10-20-29(26)24-13-5-2-6-14-24/h1-6,11-14,25-29H,7-10,15-22H2.
What are the key properties of cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane?
cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane has a molecular weight of 418.61 g/mol, XLogP of 8.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane is sourced from PubChem (CID 59045125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).