(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol

C13H30O2Si — CID 102278787

IUPAC(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol
SMILESCC[C@@H](CO)[C@@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C13H30O2Si/c1-6-12(11-14)13(7-2)15-16(8-3,9-4)10-5/h12-14H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyKVTOPYCNCCBWRK-QWHCGFSZSA-N
MW246.47 g/mol
LogP3.81
Rot. Bonds9

About (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol

(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol (PubChem CID 102278787) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol
PubChem CID102278787
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol
SMILESCC[C@@H](CO)[C@@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C13H30O2Si/c1-6-12(11-14)13(7-2)15-16(8-3,9-4)10-5/h12-14H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyKVTOPYCNCCBWRK-QWHCGFSZSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

rac-((1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexyl)methanol
CID 14172798
3-(tert-Butyldimethylsilanyloxy)pentane-1,5-diol
CID 10868252
(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 10444620
trans-2-(t-Butyldimethylsilyloxymethyl)cyclopentanol
CID 11053444
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 13596692
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
4-[Tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
CID 15124201
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(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
2-Methyl-1-butanol, 3-t-butyldimethylsilyloxy-
CID 554461

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol?
The IUPAC name of (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol (CID 102278787) is (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol.
What is the SMILES notation for (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol?
The canonical SMILES for (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol is CC[C@@H](CO)[C@@H](CC)O[Si](CC)(CC)CC.
What is the InChIKey of (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol?
The InChIKey is KVTOPYCNCCBWRK-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-6-12(11-14)13(7-2)15-16(8-3,9-4)10-5/h12-14H,6-11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol?
(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol has a molecular weight of 246.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol is sourced from PubChem (CID 102278787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).