tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane

C18H35IOSi — CID 101050721

IUPACtert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane
SMILESC=C(C)CC[C@@H](/C=C(\I)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35IOSi/c1-9-10-11-16(19)14-17(13-12-15(2)3)20-21(7,8)18(4,5)6/h14,17H,2,9-13H2,1,3-8H3/b16-14-/t17-/m0/s1
InChIKeyHZKSDAOQHBNVOH-WAIALKQBSA-N
MW422.47 g/mol
LogP7.24
Rot. Bonds9

About tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane

tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane (PubChem CID 101050721) has the molecular formula C18H35IOSi and a molecular weight of 422.47 g/mol. Its IUPAC name is tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane
PubChem CID101050721
Molecular FormulaC18H35IOSi
Molecular Weight422.47 g/mol
Exact Mass422.15
IUPAC Nametert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane
SMILESC=C(C)CC[C@@H](/C=C(\I)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35IOSi/c1-9-10-11-16(19)14-17(13-12-15(2)3)20-21(7,8)18(4,5)6/h14,17H,2,9-13H2,1,3-8H3/b16-14-/t17-/m0/s1
InChIKeyHZKSDAOQHBNVOH-WAIALKQBSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.47
LogP ≤ 57.24
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-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane (CID 101050721) is tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane is C=C(C)CC[C@@H](/C=C(\I)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane?
The InChIKey is HZKSDAOQHBNVOH-WAIALKQBSA-N. The full InChI is InChI=1S/C18H35IOSi/c1-9-10-11-16(19)14-17(13-12-15(2)3)20-21(7,8)18(4,5)6/h14,17H,2,9-13H2,1,3-8H3/b16-14-/t17-/m0/s1.
What are the key properties of tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane?
tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane has a molecular weight of 422.47 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 101050721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).