tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane

C18H35IO2Si — CID 10765450

IUPACtert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane
SMILESC=CC(C)(CCC=C(C)C)OC(CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35IO2Si/c1-10-18(7,13-11-12-15(2)3)20-16(14-19)21-22(8,9)17(4,5)6/h10,12,16H,1,11,13-14H2,2-9H3
InChIKeyBADUIYWWSWPRNS-UHFFFAOYSA-N
MW438.47 g/mol
LogP6.48
Rot. Bonds9

About tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane

tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane (PubChem CID 10765450) has the molecular formula C18H35IO2Si and a molecular weight of 438.47 g/mol. Its IUPAC name is tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane
PubChem CID10765450
Molecular FormulaC18H35IO2Si
Molecular Weight438.47 g/mol
Exact Mass438.15
IUPAC Nametert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane
SMILESC=CC(C)(CCC=C(C)C)OC(CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35IO2Si/c1-10-18(7,13-11-12-15(2)3)20-16(14-19)21-22(8,9)17(4,5)6/h10,12,16H,1,11,13-14H2,2-9H3
InChIKeyBADUIYWWSWPRNS-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S,2S)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 10527623
tert-butyl-[(1S,2R)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 10551589
tert-butyl-[(1S,2S)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodo-2-methylbutoxy]-dimethylsilane
CID 10672370
tert-butyl-[(1S,2R)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodo-2-methylbutoxy]-dimethylsilane
CID 10743343
tert-butyl-[(1E,6E,10E)-1-iodo-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-1,6,10-trien-3-yl]oxy-dimethylsilane
CID 12000506
tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 134879160
tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodo-2-methylbutoxy]-dimethylsilane
CID 134879161
[(1R,4S)-4-(1-butoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 11546670
tert-butyl-[(1S)-1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane
CID 15213975
tert-butyl-[(1R)-1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane
CID 101697745
tert-butyl-[(1R,2R)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 101697748
tert-butyl-[(1R,2S)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
CID 101697749

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane (CID 10765450) is tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane is C=CC(C)(CCC=C(C)C)OC(CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane?
The InChIKey is BADUIYWWSWPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35IO2Si/c1-10-18(7,13-11-12-15(2)3)20-16(14-19)21-22(8,9)17(4,5)6/h10,12,16H,1,11,13-14H2,2-9H3.
What are the key properties of tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane?
tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane has a molecular weight of 438.47 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane is sourced from PubChem (CID 10765450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).