(2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol

C20H40O5Si — CID 10883625

IUPAC(2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1O[C@@H](OC)C[C@H]1C[C@@H](C)CO
InChIInChI=1S/C20H40O5Si/c1-10-16(25-26(8,9)20(3,4)5)19(23-7)18-15(11-14(2)13-21)12-17(22-6)24-18/h10,14-19,21H,1,11-13H2,2-9H3/t14-,15-,16-,17-,18+,19+/m1/s1
InChIKeyXSFPVNVAPYZSOW-QMROVXIMSA-N
MW388.62 g/mol
LogP3.97
Rot. Bonds10

About (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol

(2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol (PubChem CID 10883625) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol
PubChem CID10883625
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Name(2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1O[C@@H](OC)C[C@H]1C[C@@H](C)CO
InChIInChI=1S/C20H40O5Si/c1-10-16(25-26(8,9)20(3,4)5)19(23-7)18-15(11-14(2)13-21)12-17(22-6)24-18/h10,14-19,21H,1,11-13H2,2-9H3/t14-,15-,16-,17-,18+,19+/m1/s1
InChIKeyXSFPVNVAPYZSOW-QMROVXIMSA-N
XLogP3.97
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol (CID 10883625) is (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1O[C@@H](OC)C[C@H]1C[C@@H](C)CO.
What is the InChIKey of (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol?
The InChIKey is XSFPVNVAPYZSOW-QMROVXIMSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-10-16(25-26(8,9)20(3,4)5)19(23-7)18-15(11-14(2)13-21)12-17(22-6)24-18/h10,14-19,21H,1,11-13H2,2-9H3/t14-,15-,16-,17-,18+,19+/m1/s1.
What are the key properties of (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol?
(2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol has a molecular weight of 388.62 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 10883625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).