(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal

C13H25IO2Si — CID 59051220

IUPAC(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal
SMILESC/C(=C\I)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IO2Si/c1-11(10-14)9-12(7-8-15)16-17(5,6)13(2,3)4/h8,10,12H,7,9H2,1-6H3/b11-10+/t12-/m0/s1
InChIKeyBOIFXBGUCHPJMD-IIANPFDCSA-N
MW368.33 g/mol
LogP4.69
Rot. Bonds6

About (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal

(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal (PubChem CID 59051220) has the molecular formula C13H25IO2Si and a molecular weight of 368.33 g/mol. Its IUPAC name is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal.

Molecular Properties

Compound Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal
PubChem CID59051220
Molecular FormulaC13H25IO2Si
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal
SMILESC/C(=C\I)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IO2Si/c1-11(10-14)9-12(7-8-15)16-17(5,6)13(2,3)4/h8,10,12H,7,9H2,1-6H3/b11-10+/t12-/m0/s1
InChIKeyBOIFXBGUCHPJMD-IIANPFDCSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.69
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': 'iodine', 'substructure': 'N/A'}

Analyze (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-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

(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal
CID 10926276
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 11831613
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuteriohept-6-enal
CID 57609804
(3S)-3-[tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 88877025
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuteriohept-6-enal
CID 89201213
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-enal
CID 91525111
(E,2R,3S)-5-iodo-2,4-dimethyl-3-triethylsilyloxypent-4-enal
CID 101959540
4-[Tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-en-2-one
CID 141629545
(E,2R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-2,4-dimethylpent-4-enal
CID 173632367
(E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal
CID 11851118
3-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 15599668
(E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal
CID 53494349

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal?
The IUPAC name of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal (CID 59051220) is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal.
What is the SMILES notation for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal?
The canonical SMILES for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal is C/C(=C\I)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]oxy-6-iodo-5-methylhex-5-enal?
The InChIKey is BOIFXBGUCHPJMD-IIANPFDCSA-N. The full InChI is InChI=1S/C13H25IO2Si/c1-11(10-14)9-12(7-8-15)16-17(5,6)13(2,3)4/h8,10,12H,7,9H2,1-6H3/b11-10+/t12-/m0/s1.
What are the key properties of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal?
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal has a molecular weight of 368.33 g/mol, XLogP of 4.69, 6 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]oxy-6-iodo-5-methylhex-5-enal is sourced from PubChem (CID 59051220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).