(3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate

C10H20O2Si — CID 14190138

IUPAC(3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate
SMILESC=C(C)C(C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O2Si/c1-8(2)10(12-9(3)11)7-13(4,5)6/h10H,1,7H2,2-6H3
InChIKeyKAFSYTZHVQVPDB-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds4

About (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate

(3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate (PubChem CID 14190138) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate.

Molecular Properties

Compound Name(3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate
PubChem CID14190138
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate
SMILESC=C(C)C(C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O2Si/c1-8(2)10(12-9(3)11)7-13(4,5)6/h10H,1,7H2,2-6H3
InChIKeyKAFSYTZHVQVPDB-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
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

2-(Trimethylsilylmethyl)allyl acetate
CID 4428347
2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
[(2S)-3-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
CID 10955807
[(Z)-3-fluoro-2-(trimethylsilylmethyl)prop-2-enyl] acetate
CID 15421012
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715792
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793
1-Cyano-2-[(trimethylsilyl) methyl]allyl acetate
CID 23657059
2-(Trimethylsilylmethyl)penta-1,4-dien-3-yl acetate
CID 60203737
[(Z)-5-methoxy-1-triethylsilylpent-1-en-3-yl] acetate
CID 134964945
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407
Axsoxaukezneqq-uhfffaoysa-
CID 23272992
(2-Methyl-1-trimethylsilylprop-2-enyl) acetate
CID 11206237

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate?
The IUPAC name of (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate (CID 14190138) is (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate.
What is the SMILES notation for (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate?
The canonical SMILES for (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate is C=C(C)C(C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate?
The InChIKey is KAFSYTZHVQVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-8(2)10(12-9(3)11)7-13(4,5)6/h10H,1,7H2,2-6H3.
What are the key properties of (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate?
(3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-trimethylsilylbut-3-en-2-yl) acetate is sourced from PubChem (CID 14190138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).