dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate

C22H46O6Si2 — CID 11762344

IUPACdipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
SMILESCC(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C22H46O6Si2/c1-15(2)25-19(23)17(27-29(11,12)21(5,6)7)18(20(24)26-16(3)4)28-30(13,14)22(8,9)10/h15-18H,1-14H3/t17-,18-/m0/s1
InChIKeyPSVMQGIDWRZGOZ-ROUUACIJSA-N
MW462.78 g/mol
LogP5.67
Rot. Bonds9

About dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate

dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate (PubChem CID 11762344) has the molecular formula C22H46O6Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
PubChem CID11762344
Molecular FormulaC22H46O6Si2
Molecular Weight462.78 g/mol
Exact Mass462.28
IUPAC Namedipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
SMILESCC(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C22H46O6Si2/c1-15(2)25-19(23)17(27-29(11,12)21(5,6)7)18(20(24)26-16(3)4)28-30(13,14)22(8,9)10/h15-18H,1-14H3/t17-,18-/m0/s1
InChIKeyPSVMQGIDWRZGOZ-ROUUACIJSA-N
XLogP5.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-[(trimethylsilyl)oxy]succinate
CID 552624
methyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 10105987
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
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
Ethyl tartrate, tris(trimethylsilyl)-
CID 553028
1-Ethyl 4-(trimethylsilyl) 2-((trimethylsilyl)oxy)succinate
CID 91696650
4-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)succinate
CID 91696660

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The IUPAC name of dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate (CID 11762344) is dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate.
What is the SMILES notation for dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The canonical SMILES for dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate is CC(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The InChIKey is PSVMQGIDWRZGOZ-ROUUACIJSA-N. The full InChI is InChI=1S/C22H46O6Si2/c1-15(2)25-19(23)17(27-29(11,12)21(5,6)7)18(20(24)26-16(3)4)28-30(13,14)22(8,9)10/h15-18H,1-14H3/t17-,18-/m0/s1.
What are the key properties of dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate has a molecular weight of 462.78 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate is sourced from PubChem (CID 11762344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).