[(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane

C23H54O3Si3 — CID 11954592

IUPAC[(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane
SMILESCC(C)[Si](O[C@H]([C@H](C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H54O3Si3/c1-17(2)29(18(3)4,19(5)6)25-21(20(7)24-27(11,12)13)22(23(8,9)10)26-28(14,15)16/h17-22H,1-16H3/t20-,21+,22+/m0/s1
InChIKeyHIDQIBDSRFGQCN-BHDDXSALSA-N
MW462.94 g/mol
LogP8.05
Rot. Bonds11

About [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane

[(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane (PubChem CID 11954592) has the molecular formula C23H54O3Si3 and a molecular weight of 462.94 g/mol. Its IUPAC name is [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane
PubChem CID11954592
Molecular FormulaC23H54O3Si3
Molecular Weight462.94 g/mol
Exact Mass462.34
IUPAC Name[(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane
SMILESCC(C)[Si](O[C@H]([C@H](C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H54O3Si3/c1-17(2)29(18(3)4,19(5)6)25-21(20(7)24-27(11,12)13)22(23(8,9)10)26-28(14,15)16/h17-22H,1-16H3/t20-,21+,22+/m0/s1
InChIKeyHIDQIBDSRFGQCN-BHDDXSALSA-N
XLogP8.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane?
The IUPAC name of [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane (CID 11954592) is [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane.
What is the SMILES notation for [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane?
The canonical SMILES for [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane is CC(C)[Si](O[C@H]([C@H](C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane?
The InChIKey is HIDQIBDSRFGQCN-BHDDXSALSA-N. The full InChI is InChI=1S/C23H54O3Si3/c1-17(2)29(18(3)4,19(5)6)25-21(20(7)24-27(11,12)13)22(23(8,9)10)26-28(14,15)16/h17-22H,1-16H3/t20-,21+,22+/m0/s1.
What are the key properties of [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane?
[(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane has a molecular weight of 462.94 g/mol, XLogP of 8.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-1-tert-butyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silyloxybutoxy]-trimethylsilane is sourced from PubChem (CID 11954592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).