tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane

C14H27IOSi — CID 90738864

IUPACtert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
SMILESCCC=CC[C@@H](C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27IOSi/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h8-9,11-13H,7,10H2,1-6H3/t13-/m0/s1
InChIKeyMOLADQIJXJNPNL-ZDUSSCGKSA-N
MW366.36 g/mol
LogP5.68
Rot. Bonds6

About tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane (PubChem CID 90738864) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
PubChem CID90738864
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Nametert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
SMILESCCC=CC[C@@H](C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27IOSi/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h8-9,11-13H,7,10H2,1-6H3/t13-/m0/s1
InChIKeyMOLADQIJXJNPNL-ZDUSSCGKSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.68
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane (CID 90738864) is tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane is CCC=CC[C@@H](C=CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane?
The InChIKey is MOLADQIJXJNPNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h8-9,11-13H,7,10H2,1-6H3/t13-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 90738864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).