3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one

C9H14O2Si — CID 15261962

IUPAC3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
SMILESC[Si](C)(C)/C=C/C1=CC(=O)OC1
InChIInChI=1S/C9H14O2Si/c1-12(2,3)5-4-8-6-9(10)11-7-8/h4-6H,7H2,1-3H3/b5-4+
InChIKeyWKHRKQXGHFGYIG-SNAWJCMRSA-N
MW182.29 g/mol
LogP1.90
Rot. Bonds2

About 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one

3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one (PubChem CID 15261962) has the molecular formula C9H14O2Si and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
PubChem CID15261962
Molecular FormulaC9H14O2Si
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
SMILESC[Si](C)(C)/C=C/C1=CC(=O)OC1
InChIInChI=1S/C9H14O2Si/c1-12(2,3)5-4-8-6-9(10)11-7-8/h4-6H,7H2,1-3H3/b5-4+
InChIKeyWKHRKQXGHFGYIG-SNAWJCMRSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1Z)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10953862
3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10986587
Ethyl (e)-3-methylpenta-2,4-dienoate
CID 12355162
(5Z)-4-methyl-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
CID 164674254
ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate
CID 11043708
Ethyl (2Z)-3-Methyl-2,4-pentadienoate
CID 12355163
methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11043847
2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate
CID 11056864
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11150309
ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate
CID 11448091
[dimethyl(2-methylidenebut-3-enyl)silyl]methyl (E)-but-2-enoate
CID 12164306
[Dimethyl(2-methylidenebut-3-enyl)silyl]methyl 3-methylbut-2-enoate
CID 12164308

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one?
The IUPAC name of 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one (CID 15261962) is 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one?
The canonical SMILES for 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one is C[Si](C)(C)/C=C/C1=CC(=O)OC1.
What is the InChIKey of 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one?
The InChIKey is WKHRKQXGHFGYIG-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H14O2Si/c1-12(2,3)5-4-8-6-9(10)11-7-8/h4-6H,7H2,1-3H3/b5-4+.
What are the key properties of 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one?
3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one has a molecular weight of 182.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one is sourced from PubChem (CID 15261962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).