2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one

C10H18O6Si — CID 54715947

IUPAC2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)COC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)8(6(12)4-11)16-10(9)14/h6,8,11-13H,4-5H2,1-3H3
InChIKeyIZPXWEZLMYYQFU-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.07
Rot. Bonds5

About 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one

2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one (PubChem CID 54715947) has the molecular formula C10H18O6Si and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one
PubChem CID54715947
Molecular FormulaC10H18O6Si
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)COC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)8(6(12)4-11)16-10(9)14/h6,8,11-13H,4-5H2,1-3H3
InChIKeyIZPXWEZLMYYQFU-UHFFFAOYSA-N
XLogP-0.07
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one (CID 54715947) is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one is C[Si](C)(C)COC1=C(O)C(C(O)CO)OC1=O.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one?
The InChIKey is IZPXWEZLMYYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6Si/c1-17(2,3)5-15-9-7(13)8(6(12)4-11)16-10(9)14/h6,8,11-13H,4-5H2,1-3H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one has a molecular weight of 262.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(trimethylsilylmethoxy)-2H-furan-5-one is sourced from PubChem (CID 54715947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).