(2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol

C16H34O5Si — CID 11724463

IUPAC(2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)[C@]1(C)CC[C@H]([C@@](C)(O)CO)O1
InChIInChI=1S/C16H34O5Si/c1-14(2,3)22(6,7)21-13(10-17)16(5)9-8-12(20-16)15(4,19)11-18/h12-13,17-19H,8-11H2,1-7H3/t12-,13+,15+,16+/m1/s1
InChIKeyKUNNORLUPROKDW-VRKREXBASA-N
MW334.53 g/mol
LogP2.05
Rot. Bonds6

About (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol

(2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol (PubChem CID 11724463) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol
PubChem CID11724463
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name(2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)[C@]1(C)CC[C@H]([C@@](C)(O)CO)O1
InChIInChI=1S/C16H34O5Si/c1-14(2,3)22(6,7)21-13(10-17)16(5)9-8-12(20-16)15(4,19)11-18/h12-13,17-19H,8-11H2,1-7H3/t12-,13+,15+,16+/m1/s1
InChIKeyKUNNORLUPROKDW-VRKREXBASA-N
XLogP2.05
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 10093261
[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 10093262
(2S)-2-[(2R,5S)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol
CID 10404679
[(2S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 11292911
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
CID 11450963
[(2R,3R)-3-[(2R)-2-methyl-2-tri(propan-2-yl)silyloxypentyl]oxiran-2-yl]methanol
CID 11688526
(2R,3S,7R,8S)-5-methyl-2,8-bis[tri(propan-2-yl)silyloxymethyl]oxocane-3,7-diol
CID 11731167
(2S,3R,6S,7R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,7-dimethyloxepane-3,6-diol
CID 51050895
(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol
CID 52920666
[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 102271844
[(2R,3R)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931175
[(2S,3S)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931176

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol?
The IUPAC name of (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol (CID 11724463) is (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol.
What is the SMILES notation for (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol?
The canonical SMILES for (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol is CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@]1(C)CC[C@H]([C@@](C)(O)CO)O1.
What is the InChIKey of (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol?
The InChIKey is KUNNORLUPROKDW-VRKREXBASA-N. The full InChI is InChI=1S/C16H34O5Si/c1-14(2,3)22(6,7)21-13(10-17)16(5)9-8-12(20-16)15(4,19)11-18/h12-13,17-19H,8-11H2,1-7H3/t12-,13+,15+,16+/m1/s1.
What are the key properties of (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol?
(2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol has a molecular weight of 334.53 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-5-methyloxolan-2-yl]propane-1,2-diol is sourced from PubChem (CID 11724463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).