(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal

C17H33IO2Si — CID 71762951

IUPAC(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal
SMILESC/C(I)=C\[C@H](C)[C@@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33IO2Si/c1-13(12-19)9-10-16(14(2)11-15(3)18)20-21(7,8)17(4,5)6/h11-14,16H,9-10H2,1-8H3/b15-11+/t13-,14+,16-/m1/s1
InChIKeyLIWMIWRHXAOSDJ-BNVXWKASSA-N
MW424.44 g/mol
LogP5.97
Rot. Bonds8

About (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal

(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal (PubChem CID 71762951) has the molecular formula C17H33IO2Si and a molecular weight of 424.44 g/mol. Its IUPAC name is (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal.

Molecular Properties

Compound Name(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal
PubChem CID71762951
Molecular FormulaC17H33IO2Si
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC Name(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal
SMILESC/C(I)=C\[C@H](C)[C@@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33IO2Si/c1-13(12-19)9-10-16(14(2)11-15(3)18)20-21(7,8)17(4,5)6/h11-14,16H,9-10H2,1-8H3/b15-11+/t13-,14+,16-/m1/s1
InChIKeyLIWMIWRHXAOSDJ-BNVXWKASSA-N
XLogP5.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 55.97
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,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-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,5R,7S,10S,11R)-5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7,10-dimethyl-13-tri(propan-2-yl)silyltridec-8-en-12-ynal
CID 138980524
(Z,5S,8R)-8-(butoxymethyl)-3-iodo-6-methyl-5-triethylsilyloxydec-6-enal
CID 89169961
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-enal
CID 140765700
(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal
CID 46872554
(5S,7S,8E,10R,11S,12E)-11-[tert-butyl(dimethyl)silyl]oxy-7,10-dimethyl-13-trimethylsilyl-5-tri(propan-2-yl)silyloxytrideca-8,12-dienal
CID 71489866
(E,3R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-3,7-dimethyldec-8-en-2-one
CID 71762534
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-methylideneoct-7-enal
CID 101383745
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-6-enal
CID 101964361
(E,3R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-3,7-dimethyldec-8-en-2-one
CID 102492764

Frequently Asked Questions

What is the IUPAC name of (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal?
The IUPAC name of (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal (CID 71762951) is (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal.
What is the SMILES notation for (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal?
The canonical SMILES for (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal is C/C(I)=C\[C@H](C)[C@@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal?
The InChIKey is LIWMIWRHXAOSDJ-BNVXWKASSA-N. The full InChI is InChI=1S/C17H33IO2Si/c1-13(12-19)9-10-16(14(2)11-15(3)18)20-21(7,8)17(4,5)6/h11-14,16H,9-10H2,1-8H3/b15-11+/t13-,14+,16-/m1/s1.
What are the key properties of (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal?
(E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal has a molecular weight of 424.44 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2,6-dimethylnon-7-enal is sourced from PubChem (CID 71762951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).