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

C12H22O6Si — CID 54715949

IUPAC2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one
SMILESC[Si](C)(C)CCCOC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C12H22O6Si/c1-19(2,3)6-4-5-17-11-9(15)10(8(14)7-13)18-12(11)16/h8,10,13-15H,4-7H2,1-3H3
InChIKeyNBUUGVSWGOFOLW-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.78
Rot. Bonds7

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

2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one (PubChem CID 54715949) has the molecular formula C12H22O6Si and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one
PubChem CID54715949
Molecular FormulaC12H22O6Si
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one
SMILESC[Si](C)(C)CCCOC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C12H22O6Si/c1-19(2,3)6-4-5-17-11-9(15)10(8(14)7-13)18-12(11)16/h8,10,13-15H,4-7H2,1-3H3
InChIKeyNBUUGVSWGOFOLW-UHFFFAOYSA-N
XLogP0.78
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-trimethylsilylpropoxy)-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one (CID 54715949) is 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one is C[Si](C)(C)CCCOC1=C(O)C(C(O)CO)OC1=O.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one?
The InChIKey is NBUUGVSWGOFOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6Si/c1-19(2,3)6-4-5-17-11-9(15)10(8(14)7-13)18-12(11)16/h8,10,13-15H,4-7H2,1-3H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-3-hydroxy-4-(3-trimethylsilylpropoxy)-2H-furan-5-one has a molecular weight of 290.39 g/mol, XLogP of 0.78, 7 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-(3-trimethylsilylpropoxy)-2H-furan-5-one is sourced from PubChem (CID 54715949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).