ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate

C13H22O2Si — CID 134968975

IUPACethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate
SMILESCCOC(=O)[C@@H](C)[Si](C)(C)C1C=CCC=C1
InChIInChI=1S/C13H22O2Si/c1-5-15-13(14)11(2)16(3,4)12-9-7-6-8-10-12/h7-12H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyVORASKQIUHSZFL-LLVKDONJSA-N
MW238.40 g/mol
LogP3.53
Rot. Bonds4

About ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate

ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate (PubChem CID 134968975) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate
PubChem CID134968975
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Nameethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate
SMILESCCOC(=O)[C@@H](C)[Si](C)(C)C1C=CCC=C1
InChIInChI=1S/C13H22O2Si/c1-5-15-13(14)11(2)16(3,4)12-9-7-6-8-10-12/h7-12H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyVORASKQIUHSZFL-LLVKDONJSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.53
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

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
CID 12754625
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
CID 15259542
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
methyl (E,3S)-3-trimethylsilylhex-4-enoate
CID 134938980
methyl (E,3R)-3-trimethylsilylhex-4-enoate
CID 134962008
methyl (E)-6-trimethylsilylhex-4-enoate
CID 134978772

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate?
The IUPAC name of ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate (CID 134968975) is ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate?
The canonical SMILES for ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate is CCOC(=O)[C@@H](C)[Si](C)(C)C1C=CCC=C1.
What is the InChIKey of ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate?
The InChIKey is VORASKQIUHSZFL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-5-15-13(14)11(2)16(3,4)12-9-7-6-8-10-12/h7-12H,5-6H2,1-4H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate?
ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate has a molecular weight of 238.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate is sourced from PubChem (CID 134968975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).