[(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane

C21H34O4Si — CID 15247919

IUPAC[(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H](c3ccccc3)[C@]2(O[Si](C)(C)C)C(C)(C)C)O1
InChIInChI=1S/C21H34O4Si/c1-19(2,3)21(25-26(6,7)8)17(15-12-10-9-11-13-15)23-18(21)16-14-22-20(4,5)24-16/h9-13,16-18H,14H2,1-8H3/t16-,17+,18-,21-/m1/s1
InChIKeyHOLGIPLYLHWIDS-BMQTXXJKSA-N
MW378.59 g/mol
LogP4.91
Rot. Bonds4

About [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane

[(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane (PubChem CID 15247919) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane
PubChem CID15247919
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name[(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H](c3ccccc3)[C@]2(O[Si](C)(C)C)C(C)(C)C)O1
InChIInChI=1S/C21H34O4Si/c1-19(2,3)21(25-26(6,7)8)17(15-12-10-9-11-13-15)23-18(21)16-14-22-20(4,5)24-16/h9-13,16-18H,14H2,1-8H3/t16-,17+,18-,21-/m1/s1
InChIKeyHOLGIPLYLHWIDS-BMQTXXJKSA-N
XLogP4.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane (CID 15247919) is [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane is CC1(C)OC[C@H]([C@H]2O[C@@H](c3ccccc3)[C@]2(O[Si](C)(C)C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane?
The InChIKey is HOLGIPLYLHWIDS-BMQTXXJKSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-19(2,3)21(25-26(6,7)8)17(15-12-10-9-11-13-15)23-18(21)16-14-22-20(4,5)24-16/h9-13,16-18H,14H2,1-8H3/t16-,17+,18-,21-/m1/s1.
What are the key properties of [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane?
[(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane has a molecular weight of 378.59 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3-tert-butyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenyloxetan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 15247919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).