dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate

C15H22O4Si — CID 15414955

IUPACdimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
SMILESCOC(=O)C(C)C(C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O4Si/c1-11(14(16)18-2)13(15(17)19-3)20(4,5)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyCDAHXQQEERWCIT-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.95
Rot. Bonds5

About dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate

dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate (PubChem CID 15414955) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate.

Molecular Properties

Compound Namedimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
PubChem CID15414955
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Namedimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
SMILESCOC(=O)C(C)C(C(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O4Si/c1-11(14(16)18-2)13(15(17)19-3)20(4,5)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyCDAHXQQEERWCIT-UHFFFAOYSA-N
XLogP1.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
CID 10620909
methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate
CID 10403035
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
CID 10575797
methyl (2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]butanoate
CID 101269072
dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate
CID 11793174
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
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 (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
methyl 2-methyl-3-pyridin-2-ylbutanoate
CID 102470935

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate?
The IUPAC name of dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate (CID 15414955) is dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate.
What is the SMILES notation for dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate?
The canonical SMILES for dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate is COC(=O)C(C)C(C(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate?
The InChIKey is CDAHXQQEERWCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si/c1-11(14(16)18-2)13(15(17)19-3)20(4,5)12-9-7-6-8-10-12/h6-11,13H,1-5H3.
What are the key properties of dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate?
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate has a molecular weight of 294.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate is sourced from PubChem (CID 15414955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).