(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol

C28H64O4Si3 — CID 71664998

IUPAC(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol
SMILESC[C@@H]([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C28H64O4Si3/c1-21(20-30-33(13,14)26(4,5)6)24(31-34(15,16)27(7,8)9)19-25(22(2)23(3)29)32-35(17,18)28(10,11)12/h21-25,29H,19-20H2,1-18H3/t21-,22+,23+,24-,25-/m0/s1
InChIKeyVBNDMPJFPNPWBJ-QVXKZJQXSA-N
MW549.07 g/mol
LogP8.83
Rot. Bonds12

About (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol

(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol (PubChem CID 71664998) has the molecular formula C28H64O4Si3 and a molecular weight of 549.07 g/mol. Its IUPAC name is (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol
PubChem CID71664998
Molecular FormulaC28H64O4Si3
Molecular Weight549.07 g/mol
Exact Mass548.41
IUPAC Name(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol
SMILESC[C@@H]([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C28H64O4Si3/c1-21(20-30-33(13,14)26(4,5)6)24(31-34(15,16)27(7,8)9)19-25(22(2)23(3)29)32-35(17,18)28(10,11)12/h21-25,29H,19-20H2,1-18H3/t21-,22+,23+,24-,25-/m0/s1
InChIKeyVBNDMPJFPNPWBJ-QVXKZJQXSA-N
XLogP8.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.07
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
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CID 11276618
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
ethyl (4R,7S,8S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-4,8-dimethylnonanoate
CID 102469145
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylheptan-3-ol
CID 58012730
[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane
CID 58822508
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol?
The IUPAC name of (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol (CID 71664998) is (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol.
What is the SMILES notation for (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol?
The canonical SMILES for (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol is C[C@@H]([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol?
The InChIKey is VBNDMPJFPNPWBJ-QVXKZJQXSA-N. The full InChI is InChI=1S/C28H64O4Si3/c1-21(20-30-33(13,14)26(4,5)6)24(31-34(15,16)27(7,8)9)19-25(22(2)23(3)29)32-35(17,18)28(10,11)12/h21-25,29H,19-20H2,1-18H3/t21-,22+,23+,24-,25-/m0/s1.
What are the key properties of (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol?
(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol has a molecular weight of 549.07 g/mol, XLogP of 8.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol is sourced from PubChem (CID 71664998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).