(E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal

C12H23BrO2Si — CID 155930423

IUPAC(E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESC/C(Br)=C\[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23BrO2Si/c1-10(13)9-11(7-8-14)15-16(5,6)12(2,3)4/h8-9,11H,7H2,1-6H3/b10-9+/t11-/m0/s1
InChIKeySZLPJLJUEVVNBM-USKTWTLRSA-N
MW307.30 g/mol
LogP4.26
Rot. Bonds5

About (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal

(E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (PubChem CID 155930423) has the molecular formula C12H23BrO2Si and a molecular weight of 307.30 g/mol. Its IUPAC name is (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.

Molecular Properties

Compound Name(E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
PubChem CID155930423
Molecular FormulaC12H23BrO2Si
Molecular Weight307.30 g/mol
Exact Mass306.07
IUPAC Name(E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESC/C(Br)=C\[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23BrO2Si/c1-10(13)9-11(7-8-14)15-16(5,6)12(2,3)4/h8-9,11H,7H2,1-6H3/b10-9+/t11-/m0/s1
InChIKeySZLPJLJUEVVNBM-USKTWTLRSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.26
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'}

Analyze (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The IUPAC name of (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (CID 155930423) is (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.
What is the SMILES notation for (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The canonical SMILES for (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is C/C(Br)=C\[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The InChIKey is SZLPJLJUEVVNBM-USKTWTLRSA-N. The full InChI is InChI=1S/C12H23BrO2Si/c1-10(13)9-11(7-8-14)15-16(5,6)12(2,3)4/h8-9,11H,7H2,1-6H3/b10-9+/t11-/m0/s1.
What are the key properties of (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
(E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal has a molecular weight of 307.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is sourced from PubChem (CID 155930423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).