(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol

C22H46O2Si2 — CID 11618217

IUPAC(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
SMILESCC(C)[Si](C#C[C@@H](C)[C@@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si2/c1-16(2)26(17(3)4,18(5)6)15-14-19(7)21(23)20(8)24-25(12,13)22(9,10)11/h16-21,23H,1-13H3/t19-,20+,21-/m1/s1
InChIKeyQCDYATCWAPNNQY-QHAWAJNXSA-N
MW398.78 g/mol
LogP6.62
Rot. Bonds7

About (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol

(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol (PubChem CID 11618217) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol.

Molecular Properties

Compound Name(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
PubChem CID11618217
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Name(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
SMILESCC(C)[Si](C#C[C@@H](C)[C@@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si2/c1-16(2)26(17(3)4,18(5)6)15-14-19(7)21(23)20(8)24-25(12,13)22(9,10)11/h16-21,23H,1-13H3/t19-,20+,21-/m1/s1
InChIKeyQCDYATCWAPNNQY-QHAWAJNXSA-N
XLogP6.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
The IUPAC name of (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol (CID 11618217) is (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol.
What is the SMILES notation for (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
The canonical SMILES for (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol is CC(C)[Si](C#C[C@@H](C)[C@@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
The InChIKey is QCDYATCWAPNNQY-QHAWAJNXSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-16(2)26(17(3)4,18(5)6)15-14-19(7)21(23)20(8)24-25(12,13)22(9,10)11/h16-21,23H,1-13H3/t19-,20+,21-/m1/s1.
What are the key properties of (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol?
(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol has a molecular weight of 398.78 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol is sourced from PubChem (CID 11618217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).