[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate

C12H22O3Si — CID 10610211

IUPAC[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)OC(C)/C=C\[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-8-14-10-12(13)15-11(2)7-9-16(3,4)5/h6-7,9,11H,1,8,10H2,2-5H3/b9-7-
InChIKeySNVHQJSORFGVCN-CLFYSBASSA-N
MW242.39 g/mol
LogP2.55
Rot. Bonds7

About [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate

[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate (PubChem CID 10610211) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate.

Molecular Properties

Compound Name[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate
PubChem CID10610211
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)OC(C)/C=C\[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-8-14-10-12(13)15-11(2)7-9-16(3,4)5/h6-7,9,11H,1,8,10H2,2-5H3/b9-7-
InChIKeySNVHQJSORFGVCN-CLFYSBASSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
Methyl 2-but-3-en-2-yloxyacetate
CID 13584105
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715792
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715813
[(E,1S)-1-trimethylsilylbut-2-enyl] 2-methoxyacetate
CID 134893592
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407
Axsoxaukezneqq-uhfffaoysa-
CID 23272992
Butyl 2-but-3-en-2-yloxyacetate
CID 13005702
tert-Butyl 2-(but-3-en-2-yloxy)acetate
CID 13005705
2-Allyloxypropionic acid trimethylsilyl ester
CID 54107693
Penta-1,4-dien-3-yl 2-methoxyacetate
CID 59815190

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate?
The IUPAC name of [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate (CID 10610211) is [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate.
What is the SMILES notation for [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate?
The canonical SMILES for [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate is C=CCOCC(=O)OC(C)/C=C\[Si](C)(C)C.
What is the InChIKey of [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate?
The InChIKey is SNVHQJSORFGVCN-CLFYSBASSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-6-8-14-10-12(13)15-11(2)7-9-16(3,4)5/h6-7,9,11H,1,8,10H2,2-5H3/b9-7-.
What are the key properties of [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate?
[(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate has a molecular weight of 242.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-trimethylsilylbut-3-en-2-yl] 2-prop-2-enoxyacetate is sourced from PubChem (CID 10610211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).