[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium

C30H40OPSi+ — CID 18666467

IUPAC[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
SMILESC[Si](C)(C)OC[C@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H40OPSi/c1-33(2,3)31-24-27(26-16-8-4-9-17-26)25-32(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h5-7,10-15,18-23,26-27H,4,8-9,16-17,24-25H2,1-3H3/q+1/t27-/m1/s1
InChIKeyKITNEEXVHRTXAR-HHHXNRCGSA-N
MW475.71 g/mol
LogP7.03
Rot. Bonds9

About [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium

[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium (PubChem CID 18666467) has the molecular formula C30H40OPSi+ and a molecular weight of 475.71 g/mol. Its IUPAC name is [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
PubChem CID18666467
Molecular FormulaC30H40OPSi+
Molecular Weight475.71 g/mol
Exact Mass475.26
IUPAC Name[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
SMILESC[Si](C)(C)OC[C@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H40OPSi/c1-33(2,3)31-24-27(26-16-8-4-9-17-26)25-32(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h5-7,10-15,18-23,26-27H,4,8-9,16-17,24-25H2,1-3H3/q+1/t27-/m1/s1
InChIKeyKITNEEXVHRTXAR-HHHXNRCGSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.71
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
The IUPAC name of [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium (CID 18666467) is [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium.
What is the SMILES notation for [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
The canonical SMILES for [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium is C[Si](C)(C)OC[C@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
The InChIKey is KITNEEXVHRTXAR-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H40OPSi/c1-33(2,3)31-24-27(26-16-8-4-9-17-26)25-32(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h5-7,10-15,18-23,26-27H,4,8-9,16-17,24-25H2,1-3H3/q+1/t27-/m1/s1.
What are the key properties of [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium?
[(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium has a molecular weight of 475.71 g/mol, XLogP of 7.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclohexyl-3-trimethylsilyloxypropyl]-triphenylphosphanium is sourced from PubChem (CID 18666467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).