6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine

C12H21IOSi — CID 121003831

IUPAC6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine
SMILESC[Si]1(C)C=CCC(CCC/C=C\I)CO1
InChIInChI=1S/C12H21IOSi/c1-15(2)10-6-8-12(11-14-15)7-4-3-5-9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3/b9-5-
InChIKeyDEMYVDPAILHMNH-UITAMQMPSA-N
MW336.29 g/mol
LogP4.44
Rot. Bonds4

About 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine

6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine (PubChem CID 121003831) has the molecular formula C12H21IOSi and a molecular weight of 336.29 g/mol. Its IUPAC name is 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine.

Molecular Properties

Compound Name6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine
PubChem CID121003831
Molecular FormulaC12H21IOSi
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Name6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine
SMILESC[Si]1(C)C=CCC(CCC/C=C\I)CO1
InChIInChI=1S/C12H21IOSi/c1-15(2)10-6-8-12(11-14-15)7-4-3-5-9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3/b9-5-
InChIKeyDEMYVDPAILHMNH-UITAMQMPSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-tert-Butyl((7-iodohept-6-en-1-yl)oxy)dimethylsilane
CID 60147005
tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
CID 46197624
tert-butyl-[(3R)-3-(iodomethyl)hex-5-enoxy]-dimethylsilane
CID 56595473
tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane
CID 10451649
tert-butyl-dimethyl-[(3S)-3-methylhept-6-enoxy]silane
CID 11746818
tert-butyl-[(E,1S)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane
CID 11810668
tert-butyl-[(5S)-5-(iodomethyl)oct-7-enoxy]-dimethylsilane
CID 14986653
Tert-butyl-dimethyl-(3-methylhept-6-enoxy)silane
CID 18954170
tert-butyl-[(E)-1-cyclopentyl-3-iodoprop-2-enoxy]-dimethylsilane
CID 19688585
Tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane
CID 19874754
tert-butyl-[(E)-6-ethyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 20259314
[(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane
CID 20515542

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine?
The IUPAC name of 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine (CID 121003831) is 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine.
What is the SMILES notation for 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine?
The canonical SMILES for 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine is C[Si]1(C)C=CCC(CCC/C=C\I)CO1.
What is the InChIKey of 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine?
The InChIKey is DEMYVDPAILHMNH-UITAMQMPSA-N. The full InChI is InChI=1S/C12H21IOSi/c1-15(2)10-6-8-12(11-14-15)7-4-3-5-9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3/b9-5-.
What are the key properties of 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine?
6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine has a molecular weight of 336.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine is sourced from PubChem (CID 121003831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).