(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal

C12H24O2Si — CID 11138911

IUPAC(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESC/C=C/[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyBQPOXLWOOBPVJN-AEZGRPFRSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds5

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

(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (PubChem CID 11138911) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.

Molecular Properties

Compound Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
PubChem CID11138911
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
SMILESC/C=C/[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyBQPOXLWOOBPVJN-AEZGRPFRSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,3R)-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

Related Compounds

4-Hexenal, 3-(t-butyldimethylsilyloxy)-
CID 5366923
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11470861
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienal
CID 129706388
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 23584109
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enal
CID 88194273
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enal
CID 101902361
(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-enal
CID 134967433
(E,3S)-5-bromo-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 155930423
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11149545
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11345885
(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11402630
(3R,5Z,8Z)-3-[tert-butyl(dimethyl)silyl]oxytetradeca-5,8-dienal
CID 10830885

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The IUPAC name of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal (CID 11138911) is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal.
What is the SMILES notation for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The canonical SMILES for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is C/C=C/[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
The InChIKey is BQPOXLWOOBPVJN-AEZGRPFRSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+/t11-/m0/s1.
What are the key properties of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal?
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal is sourced from PubChem (CID 11138911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).