(E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one

C12H22O2Si — CID 14691619

IUPAC(E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one
SMILESC/C=C(/C(=O)[Si](C)(C)C)C1CCCCO1
InChIInChI=1S/C12H22O2Si/c1-5-10(12(13)15(2,3)4)11-8-6-7-9-14-11/h5,11H,6-9H2,1-4H3/b10-5+
InChIKeyBPHIMVMQZLUNMU-BJMVGYQFSA-N
MW226.39 g/mol
LogP2.95
Rot. Bonds3

About (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one

(E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one (PubChem CID 14691619) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one
PubChem CID14691619
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one
SMILESC/C=C(/C(=O)[Si](C)(C)C)C1CCCCO1
InChIInChI=1S/C12H22O2Si/c1-5-10(12(13)15(2,3)4)11-8-6-7-9-14-11/h5,11H,6-9H2,1-4H3/b10-5+
InChIKeyBPHIMVMQZLUNMU-BJMVGYQFSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
Ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carboxylate
CID 11044306
Cxiwfpulzuwnna-uhfffaoysa-
CID 13929855
Propyl 2-(2-dimethylsilyloxan-2-yl)but-2-enoate
CID 173235158
diethyl (E)-2-(2-silyloxan-2-yl)but-2-enedioate
CID 175277348
2-(Oxan-2-yl)cyclopent-2-en-1-one
CID 175854206
2-[(5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal
CID 10527015
1-[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone
CID 10912098
1-[3-[Tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone
CID 11118629
1-[6-[Tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone
CID 11139702
(4R)-4-hydroxy-2-(2-trimethylsilylethoxymethyl)cyclohex-2-en-1-one
CID 11184099
2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal
CID 11328091

Frequently Asked Questions

What is the IUPAC name of (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one?
The IUPAC name of (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one (CID 14691619) is (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one.
What is the SMILES notation for (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one?
The canonical SMILES for (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one is C/C=C(/C(=O)[Si](C)(C)C)C1CCCCO1.
What is the InChIKey of (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one?
The InChIKey is BPHIMVMQZLUNMU-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-5-10(12(13)15(2,3)4)11-8-6-7-9-14-11/h5,11H,6-9H2,1-4H3/b10-5+.
What are the key properties of (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one?
(E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(oxan-2-yl)-1-trimethylsilylbut-2-en-1-one is sourced from PubChem (CID 14691619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).