[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol

C12H26O3Si — CID 59063136

IUPAC[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
SMILES[3H]C1C[C@H](CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-9-11-10(8-13)6-7-14-11/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1/i7T/t7?,10-,11-
InChIKeyPZLLFPNWIPEGNL-PMGPUPNBSA-N
MW248.43 g/mol
LogP2.41
Rot. Bonds4

About [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol

[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol (PubChem CID 59063136) has the molecular formula C12H26O3Si and a molecular weight of 248.43 g/mol. Its IUPAC name is [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
PubChem CID59063136
Molecular FormulaC12H26O3Si
Molecular Weight248.43 g/mol
Exact Mass248.17
IUPAC Name[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
SMILES[3H]C1C[C@H](CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-9-11-10(8-13)6-7-14-11/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1/i7T/t7?,10-,11-
InChIKeyPZLLFPNWIPEGNL-PMGPUPNBSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 52.41
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

[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
CID 172645705
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
CID 11160591
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
[(1R,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 14408406

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol?
The IUPAC name of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol (CID 59063136) is [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol.
What is the SMILES notation for [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol?
The canonical SMILES for [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol is [3H]C1C[C@H](CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol?
The InChIKey is PZLLFPNWIPEGNL-PMGPUPNBSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-9-11-10(8-13)6-7-14-11/h10-11,13H,6-9H2,1-5H3/t10-,11-/m1/s1/i7T/t7?,10-,11-.
What are the key properties of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol?
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol has a molecular weight of 248.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol is sourced from PubChem (CID 59063136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).