[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate

C15H26O3Si — CID 146019799

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate
SMILESCC(=O)OCC1=C(CO[Si](C)(C)C(C)(C)C)C=CC1
InChIInChI=1S/C15H26O3Si/c1-12(16)17-10-13-8-7-9-14(13)11-18-19(5,6)15(2,3)4/h7,9H,8,10-11H2,1-6H3
InChIKeyUTEGINFIJKYROF-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.83
Rot. Bonds5

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate (PubChem CID 146019799) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate
PubChem CID146019799
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate
SMILESCC(=O)OCC1=C(CO[Si](C)(C)C(C)(C)C)C=CC1
InChIInChI=1S/C15H26O3Si/c1-12(16)17-10-13-8-7-9-14(13)11-18-19(5,6)15(2,3)4/h7,9H,8,10-11H2,1-6H3
InChIKeyUTEGINFIJKYROF-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
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
prop-2-enyl (2E,4E,6E)-9-[tert-butyl(dimethyl)silyl]oxynona-2,4,6-trienoate
CID 101424838
[(E)-3-(acetyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl] acetate
CID 101724431
[(Z)-3-(acetyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl] acetate
CID 101724432
ethyl (2E,5E)-3-methyl-6-trimethylsilylhexa-2,5-dienoate
CID 102415960

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate (CID 146019799) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate is CC(=O)OCC1=C(CO[Si](C)(C)C(C)(C)C)C=CC1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate?
The InChIKey is UTEGINFIJKYROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-12(16)17-10-13-8-7-9-14(13)11-18-19(5,6)15(2,3)4/h7,9H,8,10-11H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate has a molecular weight of 282.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenta-1,3-dien-1-yl]methyl acetate is sourced from PubChem (CID 146019799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).