trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one

C18H34O3Si2 — CID 57169321

IUPACtrans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)[C@@H]1C(=O)C[C@@H]1C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si2/c1-17(2,3)22(7,8)15(20)12-11-13(19)14(12)16(21)23(9,10)18(4,5)6/h12,14H,11H2,1-10H3/t12-,14-/m0/s1
InChIKeyAEZAPKKCHDASDD-JSGCOSHPSA-N
MW354.64 g/mol
LogP4.43
Rot. Bonds4

About trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one

trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one (PubChem CID 57169321) has the molecular formula C18H34O3Si2 and a molecular weight of 354.64 g/mol. Its IUPAC name is trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one.

Molecular Properties

Compound Nametrans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one
PubChem CID57169321
Molecular FormulaC18H34O3Si2
Molecular Weight354.64 g/mol
Exact Mass354.20
IUPAC Nametrans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)[C@@H]1C(=O)C[C@@H]1C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si2/c1-17(2,3)22(7,8)15(20)12-11-13(19)14(12)16(21)23(9,10)18(4,5)6/h12,14H,11H2,1-10H3/t12-,14-/m0/s1
InChIKeyAEZAPKKCHDASDD-JSGCOSHPSA-N
XLogP4.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one?
The IUPAC name of trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one (CID 57169321) is trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one.
What is the SMILES notation for trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one?
The canonical SMILES for trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one is CC(C)(C)[Si](C)(C)C(=O)[C@@H]1C(=O)C[C@@H]1C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one?
The InChIKey is AEZAPKKCHDASDD-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H34O3Si2/c1-17(2,3)22(7,8)15(20)12-11-13(19)14(12)16(21)23(9,10)18(4,5)6/h12,14H,11H2,1-10H3/t12-,14-/m0/s1.
What are the key properties of trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one?
trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one has a molecular weight of 354.64 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]carbonyl]cyclobutan-1-one is sourced from PubChem (CID 57169321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).