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

C14H27IOSi — CID 11810668

IUPACtert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCC1
InChIInChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13(10-11-15)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3/b11-10+/t13-/m1/s1
InChIKeyMJCOEOCCUDZIBW-OCHBPSSRSA-N
MW366.36 g/mol
LogP5.52
Rot. Bonds4

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

tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane (PubChem CID 11810668) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane
PubChem CID11810668
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Nametert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCC1
InChIInChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13(10-11-15)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3/b11-10+/t13-/m1/s1
InChIKeyMJCOEOCCUDZIBW-OCHBPSSRSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.52
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-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane (CID 11810668) is tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H](/C=C/I)C1CCCC1.
What is the InChIKey of tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane?
The InChIKey is MJCOEOCCUDZIBW-OCHBPSSRSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13(10-11-15)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3/b11-10+/t13-/m1/s1.
What are the key properties of tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.52, 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-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11810668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).