[(E)-4-trimethylsilylbut-3-en-2-yl] acetate

C9H18O2Si — CID 14715792

IUPAC[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C=C/[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(11-9(2)10)6-7-12(3,4)5/h6-8H,1-5H3/b7-6+
InChIKeyKXTGTWQOHKFBEK-VOTSOKGWSA-N
MW186.33 g/mol
LogP2.37
Rot. Bonds3

About [(E)-4-trimethylsilylbut-3-en-2-yl] acetate

[(E)-4-trimethylsilylbut-3-en-2-yl] acetate (PubChem CID 14715792) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is [(E)-4-trimethylsilylbut-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
PubChem CID14715792
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C=C/[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(11-9(2)10)6-7-12(3,4)5/h6-8H,1-5H3/b7-6+
InChIKeyKXTGTWQOHKFBEK-VOTSOKGWSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
[(E)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 10774833
alpha-(Trimethylsilyl)allyl acetate
CID 11845536
Prop-2-enyl 2-trimethylsilylacetate
CID 19990685
Prop-2-enyl 3-trimethylsilylpropanoate
CID 21932104
[(E)-3-trimethylsilylprop-2-enyl] acetate
CID 10855968
[(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11148513
[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11206603
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
(3-Methyl-1-trimethylsilylbut-3-en-2-yl) acetate
CID 14190138
[(E,1S)-1-trimethylsilylbut-2-enyl] acetate
CID 14715780
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793

Frequently Asked Questions

What is the IUPAC name of [(E)-4-trimethylsilylbut-3-en-2-yl] acetate?
The IUPAC name of [(E)-4-trimethylsilylbut-3-en-2-yl] acetate (CID 14715792) is [(E)-4-trimethylsilylbut-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-4-trimethylsilylbut-3-en-2-yl] acetate?
The canonical SMILES for [(E)-4-trimethylsilylbut-3-en-2-yl] acetate is CC(=O)OC(C)/C=C/[Si](C)(C)C.
What is the InChIKey of [(E)-4-trimethylsilylbut-3-en-2-yl] acetate?
The InChIKey is KXTGTWQOHKFBEK-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(11-9(2)10)6-7-12(3,4)5/h6-8H,1-5H3/b7-6+.
What are the key properties of [(E)-4-trimethylsilylbut-3-en-2-yl] acetate?
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate has a molecular weight of 186.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-trimethylsilylbut-3-en-2-yl] acetate is sourced from PubChem (CID 14715792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).