tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane

C19H37IO2Si — CID 134879160

IUPACtert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/COC(O[Si](C)(C)C(C)(C)C)C(C)I
InChIInChI=1S/C19H37IO2Si/c1-15(2)11-10-12-16(3)13-14-21-18(17(4)20)22-23(8,9)19(5,6)7/h11,13,17-18H,10,12,14H2,1-9H3/b16-13+
InChIKeyBLAISTKPNYUTAW-DTQAZKPQSA-N
MW452.49 g/mol
LogP6.87
Rot. Bonds9

About tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane

tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane (PubChem CID 134879160) has the molecular formula C19H37IO2Si and a molecular weight of 452.49 g/mol. Its IUPAC name is tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
PubChem CID134879160
Molecular FormulaC19H37IO2Si
Molecular Weight452.49 g/mol
Exact Mass452.16
IUPAC Nametert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/COC(O[Si](C)(C)C(C)(C)C)C(C)I
InChIInChI=1S/C19H37IO2Si/c1-15(2)11-10-12-16(3)13-14-21-18(17(4)20)22-23(8,9)19(5,6)7/h11,13,17-18H,10,12,14H2,1-9H3/b16-13+
InChIKeyBLAISTKPNYUTAW-DTQAZKPQSA-N
XLogP6.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 56.87
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,2R)-1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 10577214
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-[(1S,2S)-1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 10743863
Tert-butyl-[1-(3,7-dimethylocta-1,6-dien-3-yloxy)-2-iodoethoxy]-dimethylsilane
CID 10765450
tert-butyl-[1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 15213976
tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodo-2-methylbutoxy]-dimethylsilane
CID 134879161
tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane
CID 134880484
tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10791321
Ethyl-(2-ethyl-1-propoxybut-2-enoxy)-dimethylsilane
CID 57217976

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane (CID 134879160) is tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane is CC(C)=CCC/C(C)=C/COC(O[Si](C)(C)C(C)(C)C)C(C)I.
What is the InChIKey of tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane?
The InChIKey is BLAISTKPNYUTAW-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H37IO2Si/c1-15(2)11-10-12-16(3)13-14-21-18(17(4)20)22-23(8,9)19(5,6)7/h11,13,17-18H,10,12,14H2,1-9H3/b16-13+.
What are the key properties of tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane?
tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane has a molecular weight of 452.49 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-iodopropoxy]-dimethylsilane is sourced from PubChem (CID 134879160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).