tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane

C12H25IO2Si — CID 11046491

IUPACtert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane
SMILESCO[C@@H](/C=C/I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IO2Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h7,9,11H,8,10H2,1-6H3/b9-7+/t11-/m0/s1
InChIKeyAQOZNCFSSTYMNY-DJYGCBNOSA-N
MW356.32 g/mol
LogP4.36
Rot. Bonds6

About tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane

tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane (PubChem CID 11046491) has the molecular formula C12H25IO2Si and a molecular weight of 356.32 g/mol. Its IUPAC name is tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane
PubChem CID11046491
Molecular FormulaC12H25IO2Si
Molecular Weight356.32 g/mol
Exact Mass356.07
IUPAC Nametert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane
SMILESCO[C@@H](/C=C/I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IO2Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h7,9,11H,8,10H2,1-6H3/b9-7+/t11-/m0/s1
InChIKeyAQOZNCFSSTYMNY-DJYGCBNOSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane 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

(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-en-1-ol
CID 60153234
Tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane
CID 91559483
tert-butyl-[(3R,4E,6E)-7-iodo-3-methoxy-6-methylhepta-4,6-dienoxy]-dimethylsilane
CID 134995449
tert-butyl-[(1Z,3S)-1-iodohepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 135074383
tert-butyl-[(1Z,3R)-1-iodohepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 135076255
tert-butyl-[(E)-1-iodopent-1-en-3-yl]oxy-dimethylsilane
CID 23393401
tert-butyl-dimethyl-[(3R)-5-prop-2-enoxypent-1-en-3-yl]oxysilane
CID 25133894
tert-butyl-[(3S)-5-ethoxy-1-iodopent-1-en-3-yl]oxy-dimethylsilane
CID 57027968
(R,E)-tert-butyl(1-iodopent-1-en-3-yloxy)dimethylsilane
CID 57407850
tert-butyl-[(E,3S)-1-iodopent-1-en-3-yl]oxy-dimethylsilane
CID 59125846
Tert-butyl-dimethyl-(5-prop-2-enoxypent-1-en-3-yloxy)silane
CID 74391448
Tert-butyl-(5-iodopent-1-en-3-yloxy)-dimethylsilane
CID 76003967

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane (CID 11046491) is tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane is CO[C@@H](/C=C/I)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane?
The InChIKey is AQOZNCFSSTYMNY-DJYGCBNOSA-N. The full InChI is InChI=1S/C12H25IO2Si/c1-12(2,3)16(5,6)15-10-8-11(14-4)7-9-13/h7,9,11H,8,10H2,1-6H3/b9-7+/t11-/m0/s1.
What are the key properties of tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane?
tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane has a molecular weight of 356.32 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R)-5-iodo-3-methoxypent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11046491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).