[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol

C23H48O3Si — CID 11639954

IUPAC[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol
SMILESCCCCCCCCCCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO)O1
InChIInChI=1S/C23H48O3Si/c1-7-8-9-10-11-12-13-14-15-16-20-17-21(18-22(19-24)25-20)26-27(5,6)23(2,3)4/h20-22,24H,7-19H2,1-6H3/t20-,21+,22-/m1/s1
InChIKeyOPQZPZPBIAKKSA-BHIFYINESA-N
MW400.72 g/mol
LogP6.84
Rot. Bonds13

About [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol

[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol (PubChem CID 11639954) has the molecular formula C23H48O3Si and a molecular weight of 400.72 g/mol. Its IUPAC name is [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol
PubChem CID11639954
Molecular FormulaC23H48O3Si
Molecular Weight400.72 g/mol
Exact Mass400.34
IUPAC Name[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol
SMILESCCCCCCCCCCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO)O1
InChIInChI=1S/C23H48O3Si/c1-7-8-9-10-11-12-13-14-15-16-20-17-21(18-22(19-24)25-20)26-27(5,6)23(2,3)4/h20-22,24H,7-19H2,1-6H3/t20-,21+,22-/m1/s1
InChIKeyOPQZPZPBIAKKSA-BHIFYINESA-N
XLogP6.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol?
The IUPAC name of [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol (CID 11639954) is [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol.
What is the SMILES notation for [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol?
The canonical SMILES for [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol is CCCCCCCCCCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO)O1.
What is the InChIKey of [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol?
The InChIKey is OPQZPZPBIAKKSA-BHIFYINESA-N. The full InChI is InChI=1S/C23H48O3Si/c1-7-8-9-10-11-12-13-14-15-16-20-17-21(18-22(19-24)25-20)26-27(5,6)23(2,3)4/h20-22,24H,7-19H2,1-6H3/t20-,21+,22-/m1/s1.
What are the key properties of [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol?
[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol has a molecular weight of 400.72 g/mol, XLogP of 6.84, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-undecyloxan-2-yl]methanol is sourced from PubChem (CID 11639954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).