(2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol

C14H32O3Si — CID 134970636

IUPAC(2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)CO
InChIInChI=1S/C14H32O3Si/c1-7-18(8-2,9-3)17-13(6)12(5)14(16)11(4)10-15/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14+/m0/s1
InChIKeyASVYBQIRSUSJTR-XDQVBPFNSA-N
MW276.49 g/mol
LogP3.02
Rot. Bonds9

About (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol

(2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol (PubChem CID 134970636) has the molecular formula C14H32O3Si and a molecular weight of 276.49 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol
PubChem CID134970636
Molecular FormulaC14H32O3Si
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Name(2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)CO
InChIInChI=1S/C14H32O3Si/c1-7-18(8-2,9-3)17-13(6)12(5)14(16)11(4)10-15/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14+/m0/s1
InChIKeyASVYBQIRSUSJTR-XDQVBPFNSA-N
XLogP3.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol with MolForge

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Related Compounds

trans-2-(t-Butyldimethylsilyloxymethyl)cyclopentanol
CID 11053444
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
2-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10376666
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 11264771
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 101479286
cis-(1S,2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopropan-1-ol
CID 101792741
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10870068
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10968334
[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 25149731

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol?
The IUPAC name of (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol (CID 134970636) is (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol.
What is the SMILES notation for (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol?
The canonical SMILES for (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol is CC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)CO.
What is the InChIKey of (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol?
The InChIKey is ASVYBQIRSUSJTR-XDQVBPFNSA-N. The full InChI is InChI=1S/C14H32O3Si/c1-7-18(8-2,9-3)17-13(6)12(5)14(16)11(4)10-15/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol?
(2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol has a molecular weight of 276.49 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol is sourced from PubChem (CID 134970636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).