methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate

C17H28O3Si — CID 10403035

IUPACmethyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate
SMILESCOC(=O)[C@H]([C@H](C)[Si](C)(C)c1ccccc1)C(C)(C)OC
InChIInChI=1S/C17H28O3Si/c1-13(15(16(18)19-4)17(2,3)20-5)21(6,7)14-11-9-8-10-12-14/h8-13,15H,1-7H3/t13-,15-/m0/s1
InChIKeyFZHOICPIKDWBGV-ZFWWWQNUSA-N
MW308.49 g/mol
LogP3.21
Rot. Bonds6

About methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate

methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate (PubChem CID 10403035) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate
PubChem CID10403035
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Namemethyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate
SMILESCOC(=O)[C@H]([C@H](C)[Si](C)(C)c1ccccc1)C(C)(C)OC
InChIInChI=1S/C17H28O3Si/c1-13(15(16(18)19-4)17(2,3)20-5)21(6,7)14-11-9-8-10-12-14/h8-13,15H,1-7H3/t13-,15-/m0/s1
InChIKeyFZHOICPIKDWBGV-ZFWWWQNUSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.21
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

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-[(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
methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
CID 135804698
dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
CID 10620909
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10538647
methyl (2R)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10658335
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 (2R)-2-(cyclopenten-1-yl)-2-[dimethyl(phenyl)silyl]acetate
CID 177487934
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate (CID 10403035) is methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate is COC(=O)[C@H]([C@H](C)[Si](C)(C)c1ccccc1)C(C)(C)OC.
What is the InChIKey of methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate?
The InChIKey is FZHOICPIKDWBGV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-13(15(16(18)19-4)17(2,3)20-5)21(6,7)14-11-9-8-10-12-14/h8-13,15H,1-7H3/t13-,15-/m0/s1.
What are the key properties of methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate?
methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate has a molecular weight of 308.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate is sourced from PubChem (CID 10403035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).