(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide

C15H30BrNO2Si — CID 11824649

IUPAC(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide
SMILESC/C(Br)=C\[C@@H](CC(N)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30BrNO2Si/c1-10(2)20(11(3)4,12(5)6)19-14(8-13(7)16)9-15(17)18/h8,10-12,14H,9H2,1-7H3,(H2,17,18)/b13-8+/t14-/m0/s1
InChIKeyUNLYSHJRIYCJBB-CZAWJFPGSA-N
MW364.40 g/mol
LogP4.72
Rot. Bonds8

About (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide

(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide (PubChem CID 11824649) has the molecular formula C15H30BrNO2Si and a molecular weight of 364.40 g/mol. Its IUPAC name is (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide.

Molecular Properties

Compound Name(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide
PubChem CID11824649
Molecular FormulaC15H30BrNO2Si
Molecular Weight364.40 g/mol
Exact Mass363.12
IUPAC Name(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide
SMILESC/C(Br)=C\[C@@H](CC(N)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30BrNO2Si/c1-10(2)20(11(3)4,12(5)6)19-14(8-13(7)16)9-15(17)18/h8,10-12,14H,9H2,1-7H3,(H2,17,18)/b13-8+/t14-/m0/s1
InChIKeyUNLYSHJRIYCJBB-CZAWJFPGSA-N
XLogP4.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide?
The IUPAC name of (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide (CID 11824649) is (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide.
What is the SMILES notation for (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide?
The canonical SMILES for (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide is C/C(Br)=C\[C@@H](CC(N)=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide?
The InChIKey is UNLYSHJRIYCJBB-CZAWJFPGSA-N. The full InChI is InChI=1S/C15H30BrNO2Si/c1-10(2)20(11(3)4,12(5)6)19-14(8-13(7)16)9-15(17)18/h8,10-12,14H,9H2,1-7H3,(H2,17,18)/b13-8+/t14-/m0/s1.
What are the key properties of (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide?
(E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide has a molecular weight of 364.40 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-5-bromo-3-tri(propan-2-yl)silyloxyhex-4-enamide is sourced from PubChem (CID 11824649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).