5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one

C12H22O2Si — CID 15316014

IUPAC5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one
SMILESC=C(CCC1CCC(=O)O1)C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(9-15(2,3)4)5-6-11-7-8-12(13)14-11/h11H,1,5-9H2,2-4H3
InChIKeyNUTRBKVXTMIKQE-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.37
Rot. Bonds5

About 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one

5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one (PubChem CID 15316014) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one.

Molecular Properties

Compound Name5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one
PubChem CID15316014
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one
SMILESC=C(CCC1CCC(=O)O1)C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(9-15(2,3)4)5-6-11-7-8-12(13)14-11/h11H,1,5-9H2,2-4H3
InChIKeyNUTRBKVXTMIKQE-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 10-methylidene-12-tri(propan-2-yloxy)silyldodecanoate
CID 176427899
15-Isopropenyl-3-(trimethylsilyl)oxacyclopentadecan-2-one
CID 552374
Methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate
CID 10776581
Methyl (3R)-3-(tert-butyldimethylsiloxy)-6-methyl-6-heptenoate
CID 134780962
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one
CID 11087335
(5S)-5-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enyl]oxolan-2-one
CID 11208377
5-(1-butylvinyl)dihydro-2(3H)-furanone
CID 14202323
5-(2-Methylprop-2-enyl)oxolan-2-one
CID 15062327
Methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate
CID 53243520
5-[8-[Tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one
CID 54579414
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate
CID 101618209
12-Methylidene-11-triethylsilyloxy-oxacycloicosan-2-one
CID 101771238

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one?
The IUPAC name of 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one (CID 15316014) is 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one.
What is the SMILES notation for 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one?
The canonical SMILES for 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one is C=C(CCC1CCC(=O)O1)C[Si](C)(C)C.
What is the InChIKey of 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one?
The InChIKey is NUTRBKVXTMIKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-10(9-15(2,3)4)5-6-11-7-8-12(13)14-11/h11H,1,5-9H2,2-4H3.
What are the key properties of 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one?
5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one has a molecular weight of 226.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trimethylsilylmethyl)but-3-enyl]oxolan-2-one is sourced from PubChem (CID 15316014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).