[(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate

C10H20O3Si — CID 101012248

IUPAC[(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate
SMILESC/C=C/C(CO[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O3Si/c1-6-7-10(13-9(2)11)8-12-14(3,4)5/h6-7,10H,8H2,1-5H3/b7-6+
InChIKeyGFIXUNVFFXRPNP-VOTSOKGWSA-N
MW216.35 g/mol
LogP2.35
Rot. Bonds5

About [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate

[(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate (PubChem CID 101012248) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate
PubChem CID101012248
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name[(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate
SMILESC/C=C/C(CO[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O3Si/c1-6-7-10(13-9(2)11)8-12-14(3,4)5/h6-7,10H,8H2,1-5H3/b7-6+
InChIKeyGFIXUNVFFXRPNP-VOTSOKGWSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
[(E)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 10774833
[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 134854496
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
ethyl (2E,4S)-4-[(tert-butyldimethylsilyl)oxy]pent-2-enoate
CID 11118755
[(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
[(3S,6R)-6-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11333889

Frequently Asked Questions

What is the IUPAC name of [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate?
The IUPAC name of [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate (CID 101012248) is [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate?
The canonical SMILES for [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate is C/C=C/C(CO[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate?
The InChIKey is GFIXUNVFFXRPNP-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-7-10(13-9(2)11)8-12-14(3,4)5/h6-7,10H,8H2,1-5H3/b7-6+.
What are the key properties of [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate?
[(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate has a molecular weight of 216.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-trimethylsilyloxypent-3-en-2-yl] acetate is sourced from PubChem (CID 101012248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).