ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate

C18H38O4Si2 — CID 10667161

IUPACditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCC(C)(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)21-15(19)13(23(7,8)9)14(24(10,11)12)16(20)22-18(4,5)6/h13-14H,1-12H3/t13-,14-/m1/s1
InChIKeyXOBMAISTYQYBMA-ZIAGYGMSSA-N
MW374.67 g/mol
LogP5.09
Rot. Bonds5

About ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate

ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate (PubChem CID 10667161) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate.

Molecular Properties

Compound Nameditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
PubChem CID10667161
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Nameditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
SMILESCC(C)(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)21-15(19)13(23(7,8)9)14(24(10,11)12)16(20)22-18(4,5)6/h13-14H,1-12H3/t13-,14-/m1/s1
InChIKeyXOBMAISTYQYBMA-ZIAGYGMSSA-N
XLogP5.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The IUPAC name of ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate (CID 10667161) is ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate.
What is the SMILES notation for ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The canonical SMILES for ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate is CC(C)(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
The InChIKey is XOBMAISTYQYBMA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-17(2,3)21-15(19)13(23(7,8)9)14(24(10,11)12)16(20)22-18(4,5)6/h13-14H,1-12H3/t13-,14-/m1/s1.
What are the key properties of ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate?
ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate has a molecular weight of 374.67 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate is sourced from PubChem (CID 10667161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).