tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane

C14H29IOSi — CID 134898049

IUPACtert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)I
InChIInChI=1S/C14H29IOSi/c1-9-13(11(2)10-12(3)15)16-17(7,8)14(4,5)6/h10-11,13H,9H2,1-8H3/b12-10+/t11-,13-/m1/s1
InChIKeyZMTPVSVCFMWJAQ-ZGDCTCODSA-N
MW368.38 g/mol
LogP5.76
Rot. Bonds5

About tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane (PubChem CID 134898049) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane
PubChem CID134898049
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Nametert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)I
InChIInChI=1S/C14H29IOSi/c1-9-13(11(2)10-12(3)15)16-17(7,8)14(4,5)6/h10-11,13H,9H2,1-8H3/b12-10+/t11-,13-/m1/s1
InChIKeyZMTPVSVCFMWJAQ-ZGDCTCODSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,3S,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane
CID 11303134
[(Z,2R)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 101387047
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-[(Z,2R)-4-iodo-2-methylpent-3-enoxy]-dimethylsilane
CID 134897743
tert-butyl-[(E,2R,3R,4S)-1-iodo-2,4,7-trimethyloct-5-en-3-yl]oxy-dimethylsilane
CID 134933973
t-Butyl-(1,2-dimethylpent-3-enyloxy)dimethylsilane
CID 5366450
tert-butyl-dimethyl-[(1R,2R)-2-methylcyclohex-3-en-1-yl]oxysilane
CID 10823148
tert-butyl-[(E)-8-iodooct-3-enoxy]-dimethylsilane
CID 11068595
tert-butyl-[(1E,5E)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
CID 13914936
tert-butyl-[(1E,3S,5Z)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
CID 13914937
Tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane (CID 134898049) is tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)I.
What is the InChIKey of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is ZMTPVSVCFMWJAQ-ZGDCTCODSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-9-13(11(2)10-12(3)15)16-17(7,8)14(4,5)6/h10-11,13H,9H2,1-8H3/b12-10+/t11-,13-/m1/s1.
What are the key properties of tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R,4R)-6-iodo-4-methylhept-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134898049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).