(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol

C11H24O3Si — CID 57379881

IUPAC(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
SMILESC=C[C@@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h7,9-10,12-13H,1,8H2,2-6H3/t9-,10+/m1/s1
InChIKeyQELQURCNZNUZRO-ZJUUUORDSA-N
MW232.40 g/mol
LogP1.92
Rot. Bonds5

About (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol

(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol (PubChem CID 57379881) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
PubChem CID57379881
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol
SMILESC=C[C@@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h7,9-10,12-13H,1,8H2,2-6H3/t9-,10+/m1/s1
InChIKeyQELQURCNZNUZRO-ZJUUUORDSA-N
XLogP1.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Tert-butyldimethylsilyl)oxy]but-3-en-2-ol
CID 10910595
3-[Tert-butyl(dimethyl)silyl]oxypent-4-en-1-ol
CID 17795838
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 10900062
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
3-(Trimethylsilylmethyl)but-3-ene-1,2-diol
CID 12022124
5-[(tert-Butyldimethylsilyl)oxy]pent-1-en-3-ol
CID 12184694
(R)-1-(tert-butyldimethylsilanyloxy)-3-buten-2-ol
CID 14185009
(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-1-ol
CID 16752963
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 24822910

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol?
The IUPAC name of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol (CID 57379881) is (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol.
What is the SMILES notation for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol?
The canonical SMILES for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol is C=C[C@@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol?
The InChIKey is QELQURCNZNUZRO-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h7,9-10,12-13H,1,8H2,2-6H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol?
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol has a molecular weight of 232.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-ene-2,3-diol is sourced from PubChem (CID 57379881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).