(1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol

C24H50O4Si2 — CID 11374550

IUPAC(1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol
SMILESC=C(C)[C@@H](O)[C@@H](O[Si](CC)(CC)CC)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H50O4Si2/c1-12-30(13-2,14-3)28-23(22(25)18(4)5)21-17-19(6)20(27-21)15-16-26-29(10,11)24(7,8)9/h19-23,25H,4,12-17H2,1-3,5-11H3/t19-,20+,21-,22-,23+/m1/s1
InChIKeyBMPREENLQOARAC-KCSJKLDESA-N
MW458.83 g/mol
LogP6.52
Rot. Bonds12

About (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol

(1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol (PubChem CID 11374550) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol
PubChem CID11374550
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Name(1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol
SMILESC=C(C)[C@@H](O)[C@@H](O[Si](CC)(CC)CC)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H50O4Si2/c1-12-30(13-2,14-3)28-23(22(25)18(4)5)21-17-19(6)20(27-21)15-16-26-29(10,11)24(7,8)9/h19-23,25H,4,12-17H2,1-3,5-11H3/t19-,20+,21-,22-,23+/m1/s1
InChIKeyBMPREENLQOARAC-KCSJKLDESA-N
XLogP6.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 56.52
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol?
The IUPAC name of (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol (CID 11374550) is (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol.
What is the SMILES notation for (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol?
The canonical SMILES for (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol is C=C(C)[C@@H](O)[C@@H](O[Si](CC)(CC)CC)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol?
The InChIKey is BMPREENLQOARAC-KCSJKLDESA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-12-30(13-2,14-3)28-23(22(25)18(4)5)21-17-19(6)20(27-21)15-16-26-29(10,11)24(7,8)9/h19-23,25H,4,12-17H2,1-3,5-11H3/t19-,20+,21-,22-,23+/m1/s1.
What are the key properties of (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol?
(1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol has a molecular weight of 458.83 g/mol, XLogP of 6.52, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-3-methyl-1-triethylsilyloxybut-3-en-2-ol is sourced from PubChem (CID 11374550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).