[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate

C14H28O4Si — CID 139257645

IUPAC[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate
SMILESCC(=O)OC1CCC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-11(15)17-13-9-7-8-12(18-13)10-16-19(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13?/m0/s1
InChIKeyITGMAKDRVCRTPO-UEWDXFNNSA-N
MW288.46 g/mol
LogP3.47
Rot. Bonds4

About [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate

[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate (PubChem CID 139257645) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate.

Molecular Properties

Compound Name[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate
PubChem CID139257645
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate
SMILESCC(=O)OC1CCC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-11(15)17-13-9-7-8-12(18-13)10-16-19(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13?/m0/s1
InChIKeyITGMAKDRVCRTPO-UEWDXFNNSA-N
XLogP3.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)tetrahydro-2-furanyl acetate
CID 10516489
(6-Acetyloxyoxan-2-yl)methyl acetate
CID 135013331
[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate
CID 18665150
Tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane
CID 54491169
[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate
CID 70170361
tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
CID 70279467
[(2R,3R,4S,5R)-5,6-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-yl] acetate
CID 174043883
[(2R,3R,4S,5S)-4,6-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-3-yl] acetate
CID 174043885
[(3S,4R,5R,6R)-2,3-diacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-4-yl] acetate
CID 174043911
Nrjiiukuaqbwbu-uuajxviysa-
CID 11281574
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate
CID 12897497
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl acetate
CID 46894693

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate?
The IUPAC name of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate (CID 139257645) is [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate.
What is the SMILES notation for [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate?
The canonical SMILES for [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate is CC(=O)OC1CCC[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate?
The InChIKey is ITGMAKDRVCRTPO-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(15)17-13-9-7-8-12(18-13)10-16-19(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13?/m0/s1.
What are the key properties of [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate?
[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate has a molecular weight of 288.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl] acetate is sourced from PubChem (CID 139257645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).