2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol

C19H36O5Si — CID 88931067

IUPAC2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol
SMILESCO[C@@H]1[C@H](CC(C)(C)[Si](C)(C)O)CC[C@]2(CO2)[C@H]1C1(C)O[C@@H]1CCO
InChIInChI=1S/C19H36O5Si/c1-17(2,25(5,6)21)11-13-7-9-19(12-23-19)16(15(13)22-4)18(3)14(24-18)8-10-20/h13-16,20-21H,7-12H2,1-6H3/t13-,14+,15+,16+,18?,19-/m0/s1
InChIKeyZIUDRLJGDXFZST-JZKKOQEESA-N
MW372.58 g/mol
LogP2.70
Rot. Bonds7

About 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol

2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol (PubChem CID 88931067) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol
PubChem CID88931067
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol
SMILESCO[C@@H]1[C@H](CC(C)(C)[Si](C)(C)O)CC[C@]2(CO2)[C@H]1C1(C)O[C@@H]1CCO
InChIInChI=1S/C19H36O5Si/c1-17(2,25(5,6)21)11-13-7-9-19(12-23-19)16(15(13)22-4)18(3)14(24-18)8-10-20/h13-16,20-21H,7-12H2,1-6H3/t13-,14+,15+,16+,18?,19-/m0/s1
InChIKeyZIUDRLJGDXFZST-JZKKOQEESA-N
XLogP2.70
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol?
The IUPAC name of 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol (CID 88931067) is 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol is CO[C@@H]1[C@H](CC(C)(C)[Si](C)(C)O)CC[C@]2(CO2)[C@H]1C1(C)O[C@@H]1CCO.
What is the InChIKey of 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol?
The InChIKey is ZIUDRLJGDXFZST-JZKKOQEESA-N. The full InChI is InChI=1S/C19H36O5Si/c1-17(2,25(5,6)21)11-13-7-9-19(12-23-19)16(15(13)22-4)18(3)14(24-18)8-10-20/h13-16,20-21H,7-12H2,1-6H3/t13-,14+,15+,16+,18?,19-/m0/s1.
What are the key properties of 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol?
2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol has a molecular weight of 372.58 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-[(3R,4S,5R,6S)-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methoxy-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]ethanol is sourced from PubChem (CID 88931067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).