dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate

C16H34O6Si2 — CID 11036237

IUPACdipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCC(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C16H34O6Si2/c1-11(2)19-15(17)13(21-23(5,6)7)14(22-24(8,9)10)16(18)20-12(3)4/h11-14H,1-10H3/t13-,14-/m1/s1
InChIKeyWTAZEIUCUCCYIA-ZIAGYGMSSA-N
MW378.61 g/mol
LogP3.33
Rot. Bonds9

About dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate

dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 11036237) has the molecular formula C16H34O6Si2 and a molecular weight of 378.61 g/mol. Its IUPAC name is dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID11036237
Molecular FormulaC16H34O6Si2
Molecular Weight378.61 g/mol
Exact Mass378.19
IUPAC Namedipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCC(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C16H34O6Si2/c1-11(2)19-15(17)13(21-23(5,6)7)14(22-24(8,9)10)16(18)20-12(3)4/h11-14H,1-10H3/t13-,14-/m1/s1
InChIKeyWTAZEIUCUCCYIA-ZIAGYGMSSA-N
XLogP3.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate (CID 11036237) is dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate is CC(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is WTAZEIUCUCCYIA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H34O6Si2/c1-11(2)19-15(17)13(21-23(5,6)7)14(22-24(8,9)10)16(18)20-12(3)4/h11-14H,1-10H3/t13-,14-/m1/s1.
What are the key properties of dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate?
dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 378.61 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 11036237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).