(E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal

C15H29BrO2Si — CID 146162786

IUPAC(E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal
SMILESC/C(Br)=C\C[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H29BrO2Si/c1-11(2)19(12(3)4,13(5)6)18-15(10-17)9-8-14(7)16/h8,10-13,15H,9H2,1-7H3/b14-8+/t15-/m0/s1
InChIKeyFHIGEVIOZSNJKB-NHXNDTTKSA-N
MW349.39 g/mol
LogP5.43
Rot. Bonds8

About (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal

(E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal (PubChem CID 146162786) has the molecular formula C15H29BrO2Si and a molecular weight of 349.39 g/mol. Its IUPAC name is (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal.

Molecular Properties

Compound Name(E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal
PubChem CID146162786
Molecular FormulaC15H29BrO2Si
Molecular Weight349.39 g/mol
Exact Mass348.11
IUPAC Name(E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal
SMILESC/C(Br)=C\C[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H29BrO2Si/c1-11(2)19(12(3)4,13(5)6)18-15(10-17)9-8-14(7)16/h8,10-13,15H,9H2,1-7H3/b14-8+/t15-/m0/s1
InChIKeyFHIGEVIOZSNJKB-NHXNDTTKSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal?
The IUPAC name of (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal (CID 146162786) is (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal.
What is the SMILES notation for (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal?
The canonical SMILES for (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal is C/C(Br)=C\C[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal?
The InChIKey is FHIGEVIOZSNJKB-NHXNDTTKSA-N. The full InChI is InChI=1S/C15H29BrO2Si/c1-11(2)19(12(3)4,13(5)6)18-15(10-17)9-8-14(7)16/h8,10-13,15H,9H2,1-7H3/b14-8+/t15-/m0/s1.
What are the key properties of (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal?
(E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal has a molecular weight of 349.39 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-bromo-2-tri(propan-2-yl)silyloxyhex-4-enal is sourced from PubChem (CID 146162786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).