methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate

C15H22O2Si — CID 171320236

IUPACmethyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
SMILESCC=C[C@@H](CC(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-5-9-14(12-15(16)17-2)18(3,4)13-10-7-6-8-11-13/h5-11,14H,12H2,1-4H3/t14-/m0/s1
InChIKeyLCBVSVWXXPCVKB-AWEZNQCLSA-N
MW262.43 g/mol
LogP3.11
Rot. Bonds5

About methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate

methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate (PubChem CID 171320236) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate.

Molecular Properties

Compound Namemethyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
PubChem CID171320236
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Namemethyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
SMILESCC=C[C@@H](CC(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-5-9-14(12-15(16)17-2)18(3,4)13-10-7-6-8-11-13/h5-11,14H,12H2,1-4H3/t14-/m0/s1
InChIKeyLCBVSVWXXPCVKB-AWEZNQCLSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.11
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

methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
CID 135804698
dimethyl-[(Z)-6-methylhept-2-en-4-yl]-phenylsilane
CID 15353782
[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate
CID 10361701
[(E)-1-[dimethyl(phenyl)silyl]but-2-enyl] acetate
CID 14715781
phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate
CID 71712406
methyl (E,2S,3R)-3-[dimethyl(phenyl)silyl]-2-(methoxycarbonylamino)hex-4-enoate
CID 10382333
methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 10358596
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
methyl 3-[hydroxy(diphenyl)silyl]-3-phenylpropanoate
CID 10498884
methyl 3-[dimethyl(phenyl)silyl]-3-[6-(hydroxymethyl)-3-pyridinyl]propanoate
CID 101341540
methyl (E)-3-phenylpent-3-enoate
CID 10012736
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The IUPAC name of methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate (CID 171320236) is methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate.
What is the SMILES notation for methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The canonical SMILES for methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate is CC=C[C@@H](CC(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate?
The InChIKey is LCBVSVWXXPCVKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-5-9-14(12-15(16)17-2)18(3,4)13-10-7-6-8-11-13/h5-11,14H,12H2,1-4H3/t14-/m0/s1.
What are the key properties of methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate?
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate has a molecular weight of 262.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate is sourced from PubChem (CID 171320236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).