methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate

C16H22O2Si — CID 177487934

IUPACmethyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate
SMILESCOC(=O)[C@@H](C1=CCCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H22O2Si/c1-18-16(17)15(13-9-7-8-10-13)19(2,3)14-11-5-4-6-12-14/h4-6,9,11-12,15H,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyWGHMAJKOSGYOOW-OAHLLOKOSA-N
MW274.44 g/mol
LogP3.26
Rot. Bonds4

About methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate

methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate (PubChem CID 177487934) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate
PubChem CID177487934
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Namemethyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate
SMILESCOC(=O)[C@@H](C1=CCCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H22O2Si/c1-18-16(17)15(13-9-7-8-10-13)19(2,3)14-11-5-4-6-12-14/h4-6,9,11-12,15H,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyWGHMAJKOSGYOOW-OAHLLOKOSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.26
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

dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
methyl (2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]butanoate
CID 101269072
dimethyl 2-[2-(benzenesulfinyl)-2-(cyclohexen-1-yl)ethyl]propanedioate
CID 10090187
cyclopenten-1-yl-[dimethyl(phenyl)silyl]methanone
CID 71358415
methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate
CID 15864605
methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate
CID 10403035
1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
CID 10575797
dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate
CID 11793174
dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
CID 135776484
methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate
CID 10248537
methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate
CID 22165853

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate?
The IUPAC name of methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate (CID 177487934) is methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate.
What is the SMILES notation for methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate?
The canonical SMILES for methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate is COC(=O)[C@@H](C1=CCCC1)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate?
The InChIKey is WGHMAJKOSGYOOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-18-16(17)15(13-9-7-8-10-13)19(2,3)14-11-5-4-6-12-14/h4-6,9,11-12,15H,7-8,10H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate?
methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate has a molecular weight of 274.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate is sourced from PubChem (CID 177487934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).