tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane

C16H33IO2Si — CID 50993097

IUPACtert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane
SMILESCO[C@H]([C@@H](C)/C=C(\C)CI)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33IO2Si/c1-12(11-17)10-13(2)15(18-7)14(3)19-20(8,9)16(4,5)6/h10,13-15H,11H2,1-9H3/b12-10+/t13-,14+,15+/m0/s1
InChIKeyYXGWBNMYAWNBGO-HUIIYUSISA-N
MW412.43 g/mol
LogP5.43
Rot. Bonds7

About tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane (PubChem CID 50993097) has the molecular formula C16H33IO2Si and a molecular weight of 412.43 g/mol. Its IUPAC name is tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane
PubChem CID50993097
Molecular FormulaC16H33IO2Si
Molecular Weight412.43 g/mol
Exact Mass412.13
IUPAC Nametert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane
SMILESCO[C@H]([C@@H](C)/C=C(\C)CI)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33IO2Si/c1-12(11-17)10-13(2)15(18-7)14(3)19-20(8,9)16(4,5)6/h10,13-15H,11H2,1-9H3/b12-10+/t13-,14+,15+/m0/s1
InChIKeyYXGWBNMYAWNBGO-HUIIYUSISA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(E,2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methyloct-6-en-2-yl]oxy-dimethylsilane
CID 24756021
tert-butyl-[(Z,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,4,6-trimethylhept-5-enoxy]-dimethylsilane
CID 87797735
tert-butyl-[(E,2S,3S,4R)-6-iodo-1-methoxy-3-(methoxymethoxy)-4-methylhept-5-en-2-yl]oxy-dimethylsilane
CID 46188285
tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane
CID 56590590
triethyl-[(3E,5R,6R,7E,9R)-1-iodo-5,7,9-trimethyldodeca-3,7-dien-6-yl]oxysilane
CID 122211712
tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane
CID 134865846
tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane
CID 134933973
tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
CID 134982119
(5R,6S)-9,9-Diethyl-5-[(2S)-4-iodopent-3-en-2-yl]-2,2,3,3,6-pentamethyl-4,8-dioxa-3,9-disilaundecane
CID 57354457
tert-butyl-[(Z,3S,4S,5S)-7-iodo-3,5-dimethyloct-6-en-4-yl]oxy-dimethylsilane
CID 57788665
tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane
CID 58139633
(3S,4S,5Z)-2-ethoxy-3-(tert-butyldimethylsilyloxy)-4-methyl-6-iodo-1,5-heptadiene
CID 86588744

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane (CID 50993097) is tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane is CO[C@H]([C@@H](C)/C=C(\C)CI)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane?
The InChIKey is YXGWBNMYAWNBGO-HUIIYUSISA-N. The full InChI is InChI=1S/C16H33IO2Si/c1-12(11-17)10-13(2)15(18-7)14(3)19-20(8,9)16(4,5)6/h10,13-15H,11H2,1-9H3/b12-10+/t13-,14+,15+/m0/s1.
What are the key properties of tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane has a molecular weight of 412.43 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 50993097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).