[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium

C39H44OPSi+ — CID 71726280

IUPAC[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium
SMILESCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H44OPSi/c1-5-33(31-40-42(39(2,3)4,37-27-17-9-18-28-37)38-29-19-10-20-30-38)32-41(34-21-11-6-12-22-34,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h6-30,33H,5,31-32H2,1-4H3/q+1/t33-/m0/s1
InChIKeyLEORLYRONGONNX-XIFFEERXSA-N
MW587.84 g/mol
LogP7.58
Rot. Bonds11

About [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium

[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium (PubChem CID 71726280) has the molecular formula C39H44OPSi+ and a molecular weight of 587.84 g/mol. Its IUPAC name is [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium
PubChem CID71726280
Molecular FormulaC39H44OPSi+
Molecular Weight587.84 g/mol
Exact Mass587.29
IUPAC Name[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium
SMILESCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H44OPSi/c1-5-33(31-40-42(39(2,3)4,37-27-17-9-18-28-37)38-29-19-10-20-30-38)32-41(34-21-11-6-12-22-34,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h6-30,33H,5,31-32H2,1-4H3/q+1/t33-/m0/s1
InChIKeyLEORLYRONGONNX-XIFFEERXSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.84
LogP ≤ 57.58
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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Related Compounds

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium?
The IUPAC name of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium (CID 71726280) is [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium.
What is the SMILES notation for [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium?
The canonical SMILES for [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium is CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium?
The InChIKey is LEORLYRONGONNX-XIFFEERXSA-N. The full InChI is InChI=1S/C39H44OPSi/c1-5-33(31-40-42(39(2,3)4,37-27-17-9-18-28-37)38-29-19-10-20-30-38)32-41(34-21-11-6-12-22-34,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h6-30,33H,5,31-32H2,1-4H3/q+1/t33-/m0/s1.
What are the key properties of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium?
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium has a molecular weight of 587.84 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium is sourced from PubChem (CID 71726280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).