tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane

C15H31IOSi — CID 19874754

IUPACtert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane
SMILESC=CCC(CI)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IOSi/c1-7-10-14(13-16)11-8-9-12-17-18(5,6)15(2,3)4/h7,14H,1,8-13H2,2-6H3
InChIKeyOLSJKFIAQWTROT-UHFFFAOYSA-N
MW382.40 g/mol
LogP5.81
Rot. Bonds9

About tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane

tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane (PubChem CID 19874754) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane
PubChem CID19874754
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Nametert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane
SMILESC=CCC(CI)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31IOSi/c1-7-10-14(13-16)11-8-9-12-17-18(5,6)15(2,3)4/h7,14H,1,8-13H2,2-6H3
InChIKeyOLSJKFIAQWTROT-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-dimethyl-[(2R)-2-methyloct-7-enoxy]silane
CID 139263961
tert-butyl-[(E)-8-iodooct-7-enoxy]-dimethylsilane
CID 10451649
(1E,3S)-1-Iodo-3-(tert-butyldimethylsiloxy)-3-cyclohexyl-1-propene
CID 10904993
tert-Butyl(((3S,5S,E)-1-iodo-5-methylnon-1-en-3-yl)oxy)dimethylsilane
CID 10938121
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-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]-dimethylsilane
CID 13106519
tert-butyl-[(5S)-5-(iodomethyl)oct-7-enoxy]-dimethylsilane
CID 14986653
(1E,3S,5R)-1-iodo-3-(tert-butyldimethylsiloxy)-5-methyl-1-nonene
CID 15689554

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane (CID 19874754) is tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane is C=CCC(CI)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane?
The InChIKey is OLSJKFIAQWTROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-7-10-14(13-16)11-8-9-12-17-18(5,6)15(2,3)4/h7,14H,1,8-13H2,2-6H3.
What are the key properties of tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane?
tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane has a molecular weight of 382.40 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane is sourced from PubChem (CID 19874754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).