(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol

C15H30O4Si — CID 101232089

IUPAC(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol
SMILESC=CC[C@H]1CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H30O4Si/c1-7-8-11-10-18-12(9-16)14(13(11)17)19-20(5,6)15(2,3)4/h7,11-14,16-17H,1,8-10H2,2-6H3/t11-,12+,13+,14+/m0/s1
InChIKeyNKHLHWUSNHVZIE-REWJHTLYSA-N
MW302.49 g/mol
LogP2.32
Rot. Bonds5

About (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol

(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol (PubChem CID 101232089) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol
PubChem CID101232089
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol
SMILESC=CC[C@H]1CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H30O4Si/c1-7-8-11-10-18-12(9-16)14(13(11)17)19-20(5,6)15(2,3)4/h7,11-14,16-17H,1,8-10H2,2-6H3/t11-,12+,13+,14+/m0/s1
InChIKeyNKHLHWUSNHVZIE-REWJHTLYSA-N
XLogP2.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3-prop-2-enyloxetan-2-yl)methanol
CID 69422031
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
CID 88871664
CID 88871664
tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 178070071
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol
CID 10938043
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 176654186

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol?
The IUPAC name of (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol (CID 101232089) is (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol.
What is the SMILES notation for (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol?
The canonical SMILES for (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol is C=CC[C@H]1CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol?
The InChIKey is NKHLHWUSNHVZIE-REWJHTLYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-8-11-10-18-12(9-16)14(13(11)17)19-20(5,6)15(2,3)4/h7,11-14,16-17H,1,8-10H2,2-6H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol?
(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol has a molecular weight of 302.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol is sourced from PubChem (CID 101232089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).