dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate

C25H36O4Si2 — CID 10575797

IUPACdimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@@H](C[C@H](C)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H36O4Si2/c1-19(30(4,5)20-14-10-8-11-15-20)18-22(23(24(26)28-2)25(27)29-3)31(6,7)21-16-12-9-13-17-21/h8-17,19,22-23H,18H2,1-7H3/t19-,22+/m0/s1
InChIKeyJOUUGNLMGKUPLM-SIKLNZKXSA-N
MW456.73 g/mol
LogP4.33
Rot. Bonds9

About dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate

dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate (PubChem CID 10575797) has the molecular formula C25H36O4Si2 and a molecular weight of 456.73 g/mol. Its IUPAC name is dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
PubChem CID10575797
Molecular FormulaC25H36O4Si2
Molecular Weight456.73 g/mol
Exact Mass456.22
IUPAC Namedimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@@H](C[C@H](C)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H36O4Si2/c1-19(30(4,5)20-14-10-8-11-15-20)18-22(23(24(26)28-2)25(27)29-3)31(6,7)21-16-12-9-13-17-21/h8-17,19,22-23H,18H2,1-7H3/t19-,22+/m0/s1
InChIKeyJOUUGNLMGKUPLM-SIKLNZKXSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.73
LogP ≤ 54.33
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-[(2R,4R)-4-[dimethyl(phenyl)silyl]-4-phenylbutan-2-yl]propanedioate
CID 10620909
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
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
dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
CID 135776484
butan-2-yl-dimethyl-phenylsilane
CID 102005826
tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate
CID 102281471
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
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

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate?
The IUPAC name of dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate (CID 10575797) is dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate?
The canonical SMILES for dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate is COC(=O)C(C(=O)OC)[C@@H](C[C@H](C)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate?
The InChIKey is JOUUGNLMGKUPLM-SIKLNZKXSA-N. The full InChI is InChI=1S/C25H36O4Si2/c1-19(30(4,5)20-14-10-8-11-15-20)18-22(23(24(26)28-2)25(27)29-3)31(6,7)21-16-12-9-13-17-21/h8-17,19,22-23H,18H2,1-7H3/t19-,22+/m0/s1.
What are the key properties of dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate?
dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate has a molecular weight of 456.73 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(1R,3S)-1,3-bis[dimethyl(phenyl)silyl]butyl]propanedioate is sourced from PubChem (CID 10575797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).