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

C66H114O2P4+2 — CID 91000587

IUPAC[2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESC1CCC(PC2CCCCC2)CC1.C1CCCC1.C1CCCC1.CC(=O)O[C@H](C)C1CCCC1[P+](C)(C)c1ccccc1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H45P2.C17H26O2P.C12H23P.2C5H10/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;1-13(19-14(2)18)16-11-8-12-17(16)20(3,4)15-9-6-5-7-10-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*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;5-7,9-10,13,16-17H,8,11-12H2,1-4H3;11-13H,1-10H2;2*1-5H2/q2*+1;;;/t22-,26?,27?;13-,16?,17?;;;/m11.../s1
InChIKeyYJFDOLBCAGQFIE-WCRAJLGCSA-N
MW1063.53 g/mol
LogP20.23
Rot. Bonds12

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

[2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium (PubChem CID 91000587) has the molecular formula C66H114O2P4+2 and a molecular weight of 1063.53 g/mol. Its IUPAC name is [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium.

Molecular Properties

Compound Name[2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
PubChem CID91000587
Molecular FormulaC66H114O2P4+2
Molecular Weight1063.53 g/mol
Exact Mass1062.78
IUPAC Name[2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESC1CCC(PC2CCCCC2)CC1.C1CCCC1.C1CCCC1.CC(=O)O[C@H](C)C1CCCC1[P+](C)(C)c1ccccc1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H45P2.C17H26O2P.C12H23P.2C5H10/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;1-13(19-14(2)18)16-11-8-12-17(16)20(3,4)15-9-6-5-7-10-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*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;5-7,9-10,13,16-17H,8,11-12H2,1-4H3;11-13H,1-10H2;2*1-5H2/q2*+1;;;/t22-,26?,27?;13-,16?,17?;;;/m11.../s1
InChIKeyYJFDOLBCAGQFIE-WCRAJLGCSA-N
XLogP20.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.53
LogP ≤ 520.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The IUPAC name of [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium (CID 91000587) is [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium.
What is the SMILES notation for [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The canonical SMILES for [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium is C1CCC(PC2CCCCC2)CC1.C1CCCC1.C1CCCC1.CC(=O)O[C@H](C)C1CCCC1[P+](C)(C)c1ccccc1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The InChIKey is YJFDOLBCAGQFIE-WCRAJLGCSA-N. The full InChI is InChI=1S/C27H45P2.C17H26O2P.C12H23P.2C5H10/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;1-13(19-14(2)18)16-11-8-12-17(16)20(3,4)15-9-6-5-7-10-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*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;5-7,9-10,13,16-17H,8,11-12H2,1-4H3;11-13H,1-10H2;2*1-5H2/q2*+1;;;/t22-,26?,27?;13-,16?,17?;;;/m11.../s1.
What are the key properties of [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium?
[2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium has a molecular weight of 1063.53 g/mol, XLogP of 20.23, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-acetyloxyethyl]cyclopentyl]-dimethyl-phenylphosphanium;bis(cyclopentane);dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium is sourced from PubChem (CID 91000587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).