(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol

C16H32O4Si — CID 140857076

IUPAC(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol
SMILESC=C[C@H](C)[C@@H]1O[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-8-11(2)15-13(9-12(18)14(10-17)19-15)20-21(6,7)16(3,4)5/h8,11-15,17-18H,1,9-10H2,2-7H3/t11-,12+,13-,14+,15-/m0/s1
InChIKeyXWRYHGMQDZWXDU-ZQNQSHIBSA-N
MW316.51 g/mol
LogP2.71
Rot. Bonds5

About (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol

(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol (PubChem CID 140857076) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol
PubChem CID140857076
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol
SMILESC=C[C@H](C)[C@@H]1O[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-8-11(2)15-13(9-12(18)14(10-17)19-15)20-21(6,7)16(3,4)5/h8,11-15,17-18H,1,9-10H2,2-7H3/t11-,12+,13-,14+,15-/m0/s1
InChIKeyXWRYHGMQDZWXDU-ZQNQSHIBSA-N
XLogP2.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.71
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

(2R,3S,4R,5R,6S)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 11123792
(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
CID 15981858
2-Ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
CID 75059890
(2S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S)-5-[(Z)-3-iodoprop-2-enyl]-4-methyloxolan-2-yl]butan-2-ol
CID 134954933
(2S)-2-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]but-3-en-2-ol
CID 135025621
(2R,3S,4R,5R,6R)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 135054268
[(2R,4S,5S)-4-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]oxy-5-prop-2-enyloxolan-2-yl]methanol
CID 138963627
(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol
CID 162416828
(E,4S,5R,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-9-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-5,7-dimethylnon-1-en-4-ol
CID 164674878
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentane-1,4-diol
CID 11014236
(2S)-1-[(2S,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]pent-4-en-2-ol
CID 11016578
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11038280

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol (CID 140857076) is (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol is C=C[C@H](C)[C@@H]1O[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is XWRYHGMQDZWXDU-ZQNQSHIBSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-8-11(2)15-13(9-12(18)14(10-17)19-15)20-21(6,7)16(3,4)5/h8,11-15,17-18H,1,9-10H2,2-7H3/t11-,12+,13-,14+,15-/m0/s1.
What are the key properties of (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol?
(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 316.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 140857076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).