2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one

C9H16O3Si — CID 134905880

IUPAC2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one
SMILESC[C@@H](O)C1C=C([Si](C)(C)C)C(=O)O1
InChIInChI=1S/C9H16O3Si/c1-6(10)7-5-8(9(11)12-7)13(2,3)4/h5-7,10H,1-4H3/t6-,7?/m1/s1
InChIKeyDVIFUBJHRYKVGX-ULUSZKPHSA-N
MW200.31 g/mol
LogP1.10
Rot. Bonds2

About 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one

2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one (PubChem CID 134905880) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one.

Molecular Properties

Compound Name2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one
PubChem CID134905880
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Name2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one
SMILESC[C@@H](O)C1C=C([Si](C)(C)C)C(=O)O1
InChIInChI=1S/C9H16O3Si/c1-6(10)7-5-8(9(11)12-7)13(2,3)4/h5-7,10H,1-4H3/t6-,7?/m1/s1
InChIKeyDVIFUBJHRYKVGX-ULUSZKPHSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Musacin D
CID 10558823
5(S)-(1-(1(S)-hydroxybut-2-enyl))-furan-2-one
CID 10820768
5-(1-Hydroxybut-2-en-1-yl)furan-2(5H)-one
CID 71369495
(2R)-2-[(E,1S)-1-hydroxybut-2-enyl]-2H-furan-5-one
CID 163043795
Ethyl-(4S,6-octadienoate
CID 5468988
Ethyl (4R*,5R*)-(E)-4-hydroxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
CID 11493008
methyl (E,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhex-2-enoate
CID 25171275
methyl (E)-5-hydroxy-6-triethylsilyloxyhex-2-enoate
CID 60149485
methyl (E,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate
CID 71567019
Ethyl 5-hydroxy-4-ethoxy-2-hexenoate
CID 74034311
5-(hydroxymethyl)-4-(2-(trimethylsilyl)ethoxy)furan-2(5H)-one
CID 86063697
(2S,3S)-2-[(E)-prop-1-enyl]-3-(2-trimethylsilylethoxy)-2,3-dihydropyran-6-one
CID 100929418

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one?
The IUPAC name of 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one (CID 134905880) is 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one.
What is the SMILES notation for 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one?
The canonical SMILES for 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one is C[C@@H](O)C1C=C([Si](C)(C)C)C(=O)O1.
What is the InChIKey of 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one?
The InChIKey is DVIFUBJHRYKVGX-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-6(10)7-5-8(9(11)12-7)13(2,3)4/h5-7,10H,1-4H3/t6-,7?/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one?
2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one has a molecular weight of 200.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxyethyl]-4-trimethylsilyl-2H-furan-5-one is sourced from PubChem (CID 134905880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).