dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate

C20H32O4Si — CID 11793174

IUPACdimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@@H](C)C[C@H](C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H32O4Si/c1-14(2)17(25(6,7)16-11-9-8-10-12-16)13-15(3)18(19(21)23-4)20(22)24-5/h8-12,14-15,17-18H,13H2,1-7H3/t15-,17+/m0/s1
InChIKeyICKABPDSVUSMDK-DOTOQJQBSA-N
MW364.56 g/mol
LogP3.62
Rot. Bonds8

About dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate

dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate (PubChem CID 11793174) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate
PubChem CID11793174
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Namedimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@@H](C)C[C@H](C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H32O4Si/c1-14(2)17(25(6,7)16-11-9-8-10-12-16)13-15(3)18(19(21)23-4)20(22)24-5/h8-12,14-15,17-18H,13H2,1-7H3/t15-,17+/m0/s1
InChIKeyICKABPDSVUSMDK-DOTOQJQBSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.62
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-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
CID 10620909
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
CID 10575797
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
CID 135776484
methyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-3-methoxy-3-methylbutanoate
CID 10403035
methyl (2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]butanoate
CID 101269072
methyl 2-acetyl-3-phenylbutanoate
CID 12561390
methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
CID 101416087
methyl (2R,3S,4R,5R)-3-[dimethyl(phenyl)silyl]-4,5-dihydroxy-2-(methoxycarbonylamino)hexanoate
CID 10248537
methyl (2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]butanoate
CID 164673972
tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate
CID 102281471
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate?
The IUPAC name of dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate (CID 11793174) is dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate is COC(=O)C(C(=O)OC)[C@@H](C)C[C@H](C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate?
The InChIKey is ICKABPDSVUSMDK-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-14(2)17(25(6,7)16-11-9-8-10-12-16)13-15(3)18(19(21)23-4)20(22)24-5/h8-12,14-15,17-18H,13H2,1-7H3/t15-,17+/m0/s1.
What are the key properties of dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate?
dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate has a molecular weight of 364.56 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2S,4R)-4-[dimethyl(phenyl)silyl]-5-methylhexan-2-yl]propanedioate is sourced from PubChem (CID 11793174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).