3-(2-trimethylsilylethoxy)-2H-furan-5-one

C9H16O3Si — CID 14526735

IUPAC3-(2-trimethylsilylethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)CCOC1=CC(=O)OC1
InChIInChI=1S/C9H16O3Si/c1-13(2,3)5-4-11-8-6-9(10)12-7-8/h6H,4-5,7H2,1-3H3
InChIKeyPTFLVHWAUKVTMV-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.78
Rot. Bonds4

About 3-(2-trimethylsilylethoxy)-2H-furan-5-one

3-(2-trimethylsilylethoxy)-2H-furan-5-one (PubChem CID 14526735) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-(2-trimethylsilylethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-trimethylsilylethoxy)-2H-furan-5-one
PubChem CID14526735
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Name3-(2-trimethylsilylethoxy)-2H-furan-5-one
SMILESC[Si](C)(C)CCOC1=CC(=O)OC1
InChIInChI=1S/C9H16O3Si/c1-13(2,3)5-4-11-8-6-9(10)12-7-8/h6H,4-5,7H2,1-3H3
InChIKeyPTFLVHWAUKVTMV-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2(5H)-furanone
CID 10866347
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
4-Propoxyfuran-2(5H)-one
CID 13987376
ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate
CID 11572750
ethyl (E)-3-trimethylsilylbut-2-enoate
CID 13087507
(5Z)-4-ethoxy-3-methyl-5-(triethylsilylmethylidene)furan-2-one
CID 102166720
5-methylene-4-(2-(trimethylsilyl)ethoxy)furan-2(5H)-one
CID 154731546
Ethyl 3-((tert-butyldimethylsilyl)oxy)but-2-enoate
CID 13678189
Tylftujhjfbbeu-uhfffaoysa-
CID 14526740
4-(Trimethylsilyl)furan-2(5H)-one
CID 15254010
4-(trimethylsilylmethoxy)-2H-furan-5-one
CID 17908853
Ethyl 3-[(trimethylsilyl)oxy]but-2-enoate
CID 54340571

Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethylsilylethoxy)-2H-furan-5-one?
The IUPAC name of 3-(2-trimethylsilylethoxy)-2H-furan-5-one (CID 14526735) is 3-(2-trimethylsilylethoxy)-2H-furan-5-one.
What is the SMILES notation for 3-(2-trimethylsilylethoxy)-2H-furan-5-one?
The canonical SMILES for 3-(2-trimethylsilylethoxy)-2H-furan-5-one is C[Si](C)(C)CCOC1=CC(=O)OC1.
What is the InChIKey of 3-(2-trimethylsilylethoxy)-2H-furan-5-one?
The InChIKey is PTFLVHWAUKVTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-13(2,3)5-4-11-8-6-9(10)12-7-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 3-(2-trimethylsilylethoxy)-2H-furan-5-one?
3-(2-trimethylsilylethoxy)-2H-furan-5-one has a molecular weight of 200.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylethoxy)-2H-furan-5-one is sourced from PubChem (CID 14526735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).