bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate

C22H46O5Si2 — CID 139812733

IUPACbis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate
SMILESCC(C)[Si](OC(=O)CC(O)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O5Si2/c1-14(2)28(15(3)4,16(5)6)26-21(24)13-20(23)22(25)27-29(17(7)8,18(9)10)19(11)12/h14-20,23H,13H2,1-12H3
InChIKeySJMVJSWIBVKUTJ-UHFFFAOYSA-N
MW446.78 g/mol
LogP6.17
Rot. Bonds11

About bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate

bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate (PubChem CID 139812733) has the molecular formula C22H46O5Si2 and a molecular weight of 446.78 g/mol. Its IUPAC name is bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate.

Molecular Properties

Compound Namebis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate
PubChem CID139812733
Molecular FormulaC22H46O5Si2
Molecular Weight446.78 g/mol
Exact Mass446.29
IUPAC Namebis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate
SMILESCC(C)[Si](OC(=O)CC(O)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O5Si2/c1-14(2)28(15(3)4,16(5)6)26-21(24)13-20(23)22(25)27-29(17(7)8,18(9)10)19(11)12/h14-20,23H,13H2,1-12H3
InChIKeySJMVJSWIBVKUTJ-UHFFFAOYSA-N
XLogP6.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.78
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
Erythraric acid, TMS
CID 523397
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Threonic acid, tetrakis-TMS
CID 528672
bis(trimethylsilyl) (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
CID 91746749
Bis(trimethylsilyl) 2-hydroxybutanedioate
CID 14048536
methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
CID 10732282
(2S,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 11270435
(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
CID 11346442
(2S,3S)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 24879930

Frequently Asked Questions

What is the IUPAC name of bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate?
The IUPAC name of bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate (CID 139812733) is bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate.
What is the SMILES notation for bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate?
The canonical SMILES for bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate is CC(C)[Si](OC(=O)CC(O)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate?
The InChIKey is SJMVJSWIBVKUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O5Si2/c1-14(2)28(15(3)4,16(5)6)26-21(24)13-20(23)22(25)27-29(17(7)8,18(9)10)19(11)12/h14-20,23H,13H2,1-12H3.
What are the key properties of bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate?
bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate has a molecular weight of 446.78 g/mol, XLogP of 6.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tri(propan-2-yl)silyl] 2-hydroxybutanedioate is sourced from PubChem (CID 139812733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).