[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol

C13H24O3Si — CID 10539032

IUPAC[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol
SMILESC#C[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO
InChIInChI=1S/C13H24O3Si/c1-7-11-10(8-14)12(16-11)9-15-17(5,6)13(2,3)4/h1,10-12,14H,8-9H2,2-6H3/t10-,11-,12+/m1/s1
InChIKeyPMVLPNUUUJDYPW-UTUOFQBUSA-N
MW256.42 g/mol
LogP2.02
Rot. Bonds4

About [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol

[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol (PubChem CID 10539032) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol
PubChem CID10539032
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol
SMILESC#C[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO
InChIInChI=1S/C13H24O3Si/c1-7-11-10(8-14)12(16-11)9-15-17(5,6)13(2,3)4/h1,10-12,14H,8-9H2,2-6H3/t10-,11-,12+/m1/s1
InChIKeyPMVLPNUUUJDYPW-UTUOFQBUSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol
CID 11436454

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol?
The IUPAC name of [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol (CID 10539032) is [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol.
What is the SMILES notation for [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol?
The canonical SMILES for [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol is C#C[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO.
What is the InChIKey of [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol?
The InChIKey is PMVLPNUUUJDYPW-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-11-10(8-14)12(16-11)9-15-17(5,6)13(2,3)4/h1,10-12,14H,8-9H2,2-6H3/t10-,11-,12+/m1/s1.
What are the key properties of [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol?
[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol has a molecular weight of 256.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol is sourced from PubChem (CID 10539032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).