(2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol

C22H50O4Si2 — CID 11235887

IUPAC(2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol
SMILESCC(C)[Si](O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)CO)(C(C)C)C(C)C
InChIInChI=1S/C22H50O4Si2/c1-16(2)28(17(3)4,18(5)6)26-21(19(7)20(24)15-23)13-14-25-27(11,12)22(8,9)10/h16-21,23-24H,13-15H2,1-12H3/t19-,20-,21-/m0/s1
InChIKeyPPAORBKPQYBMCF-ACRUOGEOSA-N
MW434.81 g/mol
LogP5.95
Rot. Bonds12

About (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol

(2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol (PubChem CID 11235887) has the molecular formula C22H50O4Si2 and a molecular weight of 434.81 g/mol. Its IUPAC name is (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol.

Molecular Properties

Compound Name(2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol
PubChem CID11235887
Molecular FormulaC22H50O4Si2
Molecular Weight434.81 g/mol
Exact Mass434.32
IUPAC Name(2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol
SMILESCC(C)[Si](O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)CO)(C(C)C)C(C)C
InChIInChI=1S/C22H50O4Si2/c1-16(2)28(17(3)4,18(5)6)26-21(19(7)20(24)15-23)13-14-25-27(11,12)22(8,9)10/h16-21,23-24H,13-15H2,1-12H3/t19-,20-,21-/m0/s1
InChIKeyPPAORBKPQYBMCF-ACRUOGEOSA-N
XLogP5.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
CID 134887511
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
CID 11773114
(2S,3R,4R,5R)-7-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[2-(oxan-2-yloxy)ethyl]-5-tri(propan-2-yl)silyloxyheptane-1,3-diol
CID 135836143

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol?
The IUPAC name of (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol (CID 11235887) is (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol.
What is the SMILES notation for (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol?
The canonical SMILES for (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol is CC(C)[Si](O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)CO)(C(C)C)C(C)C.
What is the InChIKey of (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol?
The InChIKey is PPAORBKPQYBMCF-ACRUOGEOSA-N. The full InChI is InChI=1S/C22H50O4Si2/c1-16(2)28(17(3)4,18(5)6)26-21(19(7)20(24)15-23)13-14-25-27(11,12)22(8,9)10/h16-21,23-24H,13-15H2,1-12H3/t19-,20-,21-/m0/s1.
What are the key properties of (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol?
(2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol has a molecular weight of 434.81 g/mol, XLogP of 5.95, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-tri(propan-2-yl)silyloxyhexane-1,2-diol is sourced from PubChem (CID 11235887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).