tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane

C15H29IOSi — CID 10904993

IUPACtert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCCC1
InChIInChI=1S/C15H29IOSi/c1-15(2,3)18(4,5)17-14(11-12-16)13-9-7-6-8-10-13/h11-14H,6-10H2,1-5H3/b12-11+/t14-/m1/s1
InChIKeyLGULZQHLELVLEG-GCZGRYASSA-N
MW380.39 g/mol
LogP5.91
Rot. Bonds4

About tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane

tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane (PubChem CID 10904993) has the molecular formula C15H29IOSi and a molecular weight of 380.39 g/mol. Its IUPAC name is tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane
PubChem CID10904993
Molecular FormulaC15H29IOSi
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Nametert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCCC1
InChIInChI=1S/C15H29IOSi/c1-15(2,3)18(4,5)17-14(11-12-16)13-9-7-6-8-10-13/h11-14H,6-10H2,1-5H3/b12-11+/t14-/m1/s1
InChIKeyLGULZQHLELVLEG-GCZGRYASSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.91
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane (CID 10904993) is tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCCC1.
What is the InChIKey of tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane?
The InChIKey is LGULZQHLELVLEG-GCZGRYASSA-N. The full InChI is InChI=1S/C15H29IOSi/c1-15(2,3)18(4,5)17-14(11-12-16)13-9-7-6-8-10-13/h11-14H,6-10H2,1-5H3/b12-11+/t14-/m1/s1.
What are the key properties of tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane has a molecular weight of 380.39 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10904993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).