(Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one

C18H38O3Si2 — CID 140753656

IUPAC(Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one
SMILESC[C@@H](/C=C\C(=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-15(21-23(10,11)18(5,6)7)12-13-16(19)14-20-22(8,9)17(2,3)4/h12-13,15H,14H2,1-11H3/b13-12-/t15-/m0/s1
InChIKeyKFPKCUYNGINXOG-LLNWESEBSA-N
MW358.67 g/mol
LogP5.54
Rot. Bonds7

About (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one

(Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one (PubChem CID 140753656) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one.

Molecular Properties

Compound Name(Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one
PubChem CID140753656
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name(Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one
SMILESC[C@@H](/C=C\C(=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-15(21-23(10,11)18(5,6)7)12-13-16(19)14-20-22(8,9)17(2,3)4/h12-13,15H,14H2,1-11H3/b13-12-/t15-/m0/s1
InChIKeyKFPKCUYNGINXOG-LLNWESEBSA-N
XLogP5.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one?
The IUPAC name of (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one (CID 140753656) is (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one.
What is the SMILES notation for (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one?
The canonical SMILES for (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one is C[C@@H](/C=C\C(=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one?
The InChIKey is KFPKCUYNGINXOG-LLNWESEBSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-15(21-23(10,11)18(5,6)7)12-13-16(19)14-20-22(8,9)17(2,3)4/h12-13,15H,14H2,1-11H3/b13-12-/t15-/m0/s1.
What are the key properties of (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one?
(Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one has a molecular weight of 358.67 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]hex-3-en-2-one is sourced from PubChem (CID 140753656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).