dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate

C23H30O4Si — CID 10620909

IUPACdimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](C)C[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-17(21(22(24)26-2)23(25)27-3)16-20(18-12-8-6-9-13-18)28(4,5)19-14-10-7-11-15-19/h6-15,17,20-21H,16H2,1-5H3/t17-,20-/m1/s1
InChIKeyAHPPOSXWKJHVNQ-YLJYHZDGSA-N
MW398.58 g/mol
LogP3.91
Rot. Bonds8

About dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate

dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate (PubChem CID 10620909) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
PubChem CID10620909
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Namedimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](C)C[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-17(21(22(24)26-2)23(25)27-3)16-20(18-12-8-6-9-13-18)28(4,5)19-14-10-7-11-15-19/h6-15,17,20-21H,16H2,1-5H3/t17-,20-/m1/s1
InChIKeyAHPPOSXWKJHVNQ-YLJYHZDGSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate
CID 11793174
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
CID 10575797
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
methyl 2-acetyl-3-phenylbutanoate
CID 12561390
3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
CID 584995
methyl 4-amino-2-phenylpentanoate
CID 57041145
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
methyl 2-[hydroxy(phenyl)methyl]-3-oxobutanoate
CID 102026591
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
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate?
The IUPAC name of dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate (CID 10620909) is dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate is COC(=O)C(C(=O)OC)[C@H](C)C[C@H](c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate?
The InChIKey is AHPPOSXWKJHVNQ-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H30O4Si/c1-17(21(22(24)26-2)23(25)27-3)16-20(18-12-8-6-9-13-18)28(4,5)19-14-10-7-11-15-19/h6-15,17,20-21H,16H2,1-5H3/t17-,20-/m1/s1.
What are the key properties of dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate?
dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate has a molecular weight of 398.58 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate is sourced from PubChem (CID 10620909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).