cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium

C44H78P3+ — CID 91318546

IUPACcyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESC1CCC(PC2CCCCC2)CC1.C1CCCC1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H45P2.C12H23P.C5H10/c1-22(28(23-14-7-4-8-15-23)24-16-9-5-10-17-24)26-20-13-21-27(26)29(2,3)25-18-11-6-12-19-25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h6,11-12,18-19,22-24,26-27H,4-5,7-10,13-17,20-21H2,1-3H3;11-13H,1-10H2;1-5H2/q+1;;/t22-,26?,27?;;/m1../s1
InChIKeyVDRSOPNSCIDLTP-TUGXSACBSA-N
MW700.03 g/mol
LogP14.57
Rot. Bonds8

About cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium

cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium (PubChem CID 91318546) has the molecular formula C44H78P3+ and a molecular weight of 700.03 g/mol. Its IUPAC name is cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium.

Molecular Properties

Compound Namecyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
PubChem CID91318546
Molecular FormulaC44H78P3+
Molecular Weight700.03 g/mol
Exact Mass699.53
IUPAC Namecyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESC1CCC(PC2CCCCC2)CC1.C1CCCC1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H45P2.C12H23P.C5H10/c1-22(28(23-14-7-4-8-15-23)24-16-9-5-10-17-24)26-20-13-21-27(26)29(2,3)25-18-11-6-12-19-25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h6,11-12,18-19,22-24,26-27H,4-5,7-10,13-17,20-21H2,1-3H3;11-13H,1-10H2;1-5H2/q+1;;/t22-,26?,27?;;/m1../s1
InChIKeyVDRSOPNSCIDLTP-TUGXSACBSA-N
XLogP14.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.03
LogP ≤ 514.57
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 cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The IUPAC name of cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium (CID 91318546) is cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium.
What is the SMILES notation for cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The canonical SMILES for cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium is C1CCC(PC2CCCCC2)CC1.C1CCCC1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The InChIKey is VDRSOPNSCIDLTP-TUGXSACBSA-N. The full InChI is InChI=1S/C27H45P2.C12H23P.C5H10/c1-22(28(23-14-7-4-8-15-23)24-16-9-5-10-17-24)26-20-13-21-27(26)29(2,3)25-18-11-6-12-19-25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h6,11-12,18-19,22-24,26-27H,4-5,7-10,13-17,20-21H2,1-3H3;11-13H,1-10H2;1-5H2/q+1;;/t22-,26?,27?;;/m1../s1.
What are the key properties of cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium has a molecular weight of 700.03 g/mol, XLogP of 14.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium is sourced from PubChem (CID 91318546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).