(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol

C13H30O4Si — CID 10755088

IUPAC(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
SMILESC[C@@H](C(O)CO)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O4Si/c1-10(12(16)9-14)11(15)7-8-17-18(5,6)13(2,3)4/h10-12,14-16H,7-9H2,1-6H3/t10-,11-,12?/m1/s1
InChIKeyOECJITVLZLWFTG-XFKKCKKNSA-N
MW278.47 g/mol
LogP1.75
Rot. Bonds7

About (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol

(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol (PubChem CID 10755088) has the molecular formula C13H30O4Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol.

Molecular Properties

Compound Name(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
PubChem CID10755088
Molecular FormulaC13H30O4Si
Molecular Weight278.47 g/mol
Exact Mass278.19
IUPAC Name(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
SMILESC[C@@H](C(O)CO)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O4Si/c1-10(12(16)9-14)11(15)7-8-17-18(5,6)13(2,3)4/h10-12,14-16H,7-9H2,1-6H3/t10-,11-,12?/m1/s1
InChIKeyOECJITVLZLWFTG-XFKKCKKNSA-N
XLogP1.75
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
Trimethylsilyl mannitol
CID 77134629
TMS-Sorbitol
CID 129724359
[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 25149731
(2R,3R)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11023066
(2R,3R)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11358562
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
CID 11403559
(2R,3S)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 12061955
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentane-1,2-diol
CID 12164126
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
3-(3-Methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 14967405
(2S,3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-2,3-diol
CID 21771973

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol?
The IUPAC name of (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol (CID 10755088) is (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol.
What is the SMILES notation for (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol?
The canonical SMILES for (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol is C[C@@H](C(O)CO)[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol?
The InChIKey is OECJITVLZLWFTG-XFKKCKKNSA-N. The full InChI is InChI=1S/C13H30O4Si/c1-10(12(16)9-14)11(15)7-8-17-18(5,6)13(2,3)4/h10-12,14-16H,7-9H2,1-6H3/t10-,11-,12?/m1/s1.
What are the key properties of (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol?
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol has a molecular weight of 278.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol is sourced from PubChem (CID 10755088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).