[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate

C11H20O2Si — CID 134980553

IUPAC[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
SMILESC=C(/C=C/C[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C11H20O2Si/c1-10(9-13-11(2)12)7-6-8-14(3,4)5/h6-7H,1,8-9H2,2-5H3/b7-6+
InChIKeyWFDASXCRKZEDMI-VOTSOKGWSA-N
MW212.36 g/mol
LogP3.00
Rot. Bonds5

About [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate

[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate (PubChem CID 134980553) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
PubChem CID134980553
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
SMILESC=C(/C=C/C[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C11H20O2Si/c1-10(9-13-11(2)12)7-6-8-14(3,4)5/h6-7H,1,8-9H2,2-5H3/b7-6+
InChIKeyWFDASXCRKZEDMI-VOTSOKGWSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperitanate
CID 54275943
8-Ocimenyl acetate, (3Z,6E)-
CID 21967387
2,6-Dimethylocta-2,5,7-trien-1-yl acetate
CID 54275945
3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
CID 15261962
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (2E,4E,6E)-3-(trifluoromethyl)-7-trimethylsilylhepta-2,4,6-trienoate
CID 21599857
8-Ocimenyl acetate, (3E,6Z)-
CID 19352238
8-Ocimenyl acetate, (3Z,6Z)-
CID 54275944
methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11043847
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11150309
[(E)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
CID 11369632
[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
CID 15535324

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
The IUPAC name of [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate (CID 134980553) is [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate.
What is the SMILES notation for [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
The canonical SMILES for [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate is C=C(/C=C/C[Si](C)(C)C)COC(C)=O.
What is the InChIKey of [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
The InChIKey is WFDASXCRKZEDMI-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-10(9-13-11(2)12)7-6-8-14(3,4)5/h6-7H,1,8-9H2,2-5H3/b7-6+.
What are the key properties of [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate?
[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate has a molecular weight of 212.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate is sourced from PubChem (CID 134980553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).