tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane

C25H36OSi — CID 102506110

IUPACtert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane
SMILESCCCCC[C@H]1C[C@@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H36OSi/c1-5-6-9-14-21-19-22(26-21)20-27(25(2,3)4,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,21-22H,5-6,9,14,19-20H2,1-4H3/t21-,22-/m0/s1
InChIKeyUBGKAWKEZWJVPU-VXKWHMMOSA-N
MW380.65 g/mol
LogP5.79
Rot. Bonds8

About tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane

tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane (PubChem CID 102506110) has the molecular formula C25H36OSi and a molecular weight of 380.65 g/mol. Its IUPAC name is tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane
PubChem CID102506110
Molecular FormulaC25H36OSi
Molecular Weight380.65 g/mol
Exact Mass380.25
IUPAC Nametert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane
SMILESCCCCC[C@H]1C[C@@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H36OSi/c1-5-6-9-14-21-19-22(26-21)20-27(25(2,3)4,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,21-22H,5-6,9,14,19-20H2,1-4H3/t21-,22-/m0/s1
InChIKeyUBGKAWKEZWJVPU-VXKWHMMOSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane (CID 102506110) is tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane is CCCCC[C@H]1C[C@@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane?
The InChIKey is UBGKAWKEZWJVPU-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H36OSi/c1-5-6-9-14-21-19-22(26-21)20-27(25(2,3)4,23-15-10-7-11-16-23)24-17-12-8-13-18-24/h7-8,10-13,15-18,21-22H,5-6,9,14,19-20H2,1-4H3/t21-,22-/m0/s1.
What are the key properties of tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane?
tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane has a molecular weight of 380.65 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane is sourced from PubChem (CID 102506110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).