(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol

C14H30O3Si — CID 10492591

IUPAC(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
SMILESC[C@H]1CC[C@H](O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H30O3Si/c1-11-7-8-12(15)13(17-11)9-10-16-18(5,6)14(2,3)4/h11-13,15H,7-10H2,1-6H3/t11-,12-,13+/m0/s1
InChIKeyCQHHICNMXBPTHW-RWMBFGLXSA-N
MW274.48 g/mol
LogP3.33
Rot. Bonds4

About (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol

(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol (PubChem CID 10492591) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
PubChem CID10492591
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
SMILESC[C@H]1CC[C@H](O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H30O3Si/c1-11-7-8-12(15)13(17-11)9-10-16-18(5,6)14(2,3)4/h11-13,15H,7-10H2,1-6H3/t11-,12-,13+/m0/s1
InChIKeyCQHHICNMXBPTHW-RWMBFGLXSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
CID 10706494
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 10890219
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 11322576
3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]propan-1-ol
CID 44438951
(R)-1-((tert-Butyldimethylsilyl)oxy)-3-(octadecyloxy)propan-2-ol
CID 10790085
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
(3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70882713
(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70882714
(2R,3R,4R)-4-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
CID 70882787
(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
CID 70882811
(2R,3S,5S)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
CID 70882991
(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70883019

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol (CID 10492591) is (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol is C[C@H]1CC[C@H](O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol?
The InChIKey is CQHHICNMXBPTHW-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-11-7-8-12(15)13(17-11)9-10-16-18(5,6)14(2,3)4/h11-13,15H,7-10H2,1-6H3/t11-,12-,13+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol?
(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol has a molecular weight of 274.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol is sourced from PubChem (CID 10492591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).