[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane

C34H41O2PSi — CID 11953688

IUPAC[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane
SMILESCC(C)(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H41O2PSi/c1-33(2,3)38(31-23-14-8-15-24-31,32-25-16-9-17-26-32)35-28-18-27-34(4,5)36-37(29-19-10-6-11-20-29)30-21-12-7-13-22-30/h6-17,19-26H,18,27-28H2,1-5H3
InChIKeyRNFVLJKGNSRDPG-UHFFFAOYSA-N
MW540.76 g/mol
LogP7.19
Rot. Bonds11

About [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane

[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane (PubChem CID 11953688) has the molecular formula C34H41O2PSi and a molecular weight of 540.76 g/mol. Its IUPAC name is [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane
PubChem CID11953688
Molecular FormulaC34H41O2PSi
Molecular Weight540.76 g/mol
Exact Mass540.26
IUPAC Name[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane
SMILESCC(C)(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H41O2PSi/c1-33(2,3)38(31-23-14-8-15-24-31,32-25-16-9-17-26-32)35-28-18-27-34(4,5)36-37(29-19-10-6-11-20-29)30-21-12-7-13-22-30/h6-17,19-26H,18,27-28H2,1-5H3
InChIKeyRNFVLJKGNSRDPG-UHFFFAOYSA-N
XLogP7.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.76
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane
CID 102173957
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane?
The IUPAC name of [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane (CID 11953688) is [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane.
What is the SMILES notation for [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane?
The canonical SMILES for [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane is CC(C)(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OP(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane?
The InChIKey is RNFVLJKGNSRDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41O2PSi/c1-33(2,3)38(31-23-14-8-15-24-31,32-25-16-9-17-26-32)35-28-18-27-34(4,5)36-37(29-19-10-6-11-20-29)30-21-12-7-13-22-30/h6-17,19-26H,18,27-28H2,1-5H3.
What are the key properties of [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane?
[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane has a molecular weight of 540.76 g/mol, XLogP of 7.19, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane is sourced from PubChem (CID 11953688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).