3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one

C12H22O2Si — CID 10751748

IUPAC3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one
SMILESC=C(CC1CCCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(9-15(2,3)4)8-11-6-5-7-14-12(11)13/h11H,1,5-9H2,2-4H3
InChIKeyXUKZVEORYWRASW-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.22
Rot. Bonds4

About 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one

3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one (PubChem CID 10751748) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one.

Molecular Properties

Compound Name3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one
PubChem CID10751748
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one
SMILESC=C(CC1CCCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(9-15(2,3)4)8-11-6-5-7-14-12(11)13/h11H,1,5-9H2,2-4H3
InChIKeyXUKZVEORYWRASW-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.22
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

Ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
CID 12563472
ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
CID 13265454
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
CID 162404388
2H-Pyran-2-one, tetrahydro-4-(2-methyl-3-methylene-1-buten-4-yl)-
CID 534880
3-(2-Methylprop-2-enyl)oxan-2-one
CID 14959728
3-Methylene-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester
CID 59733752
2-Trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate
CID 154457133
Ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate
CID 10680893
Ethyl 2-[2-(trimethylsilylmethylidene)cyclopentyl]acetate
CID 85700851
(4R)-4-(3-methylbut-3-enyl)oxan-2-one
CID 102135669

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one?
The IUPAC name of 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one (CID 10751748) is 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one.
What is the SMILES notation for 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one?
The canonical SMILES for 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one is C=C(CC1CCCOC1=O)C[Si](C)(C)C.
What is the InChIKey of 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one?
The InChIKey is XUKZVEORYWRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-10(9-15(2,3)4)8-11-6-5-7-14-12(11)13/h11H,1,5-9H2,2-4H3.
What are the key properties of 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one?
3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one has a molecular weight of 226.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trimethylsilylmethyl)prop-2-enyl]oxan-2-one is sourced from PubChem (CID 10751748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).