tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane

C19H39IO2Si — CID 10789888

IUPACtert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane
SMILESC/C=C/C(CCCCCCC)OC(CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39IO2Si/c1-8-10-11-12-13-15-17(14-9-2)21-18(16-20)22-23(6,7)19(3,4)5/h9,14,17-18H,8,10-13,15-16H2,1-7H3/b14-9+
InChIKeyOMXBREKZZWYZHH-NTEUORMPSA-N
MW454.51 g/mol
LogP7.09
Rot. Bonds12

About tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane

tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane (PubChem CID 10789888) has the molecular formula C19H39IO2Si and a molecular weight of 454.51 g/mol. Its IUPAC name is tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane
PubChem CID10789888
Molecular FormulaC19H39IO2Si
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Nametert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane
SMILESC/C=C/C(CCCCCCC)OC(CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39IO2Si/c1-8-10-11-12-13-15-17(14-9-2)21-18(16-20)22-23(6,7)19(3,4)5/h9,14,17-18H,8,10-13,15-16H2,1-7H3/b14-9+
InChIKeyOMXBREKZZWYZHH-NTEUORMPSA-N
XLogP7.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S,2R)-1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 10577214
tert-butyl-[(1S,2S)-1-cyclohex-2-en-1-yloxy-2-iododecoxy]-dimethylsilane
CID 10601271
tert-butyl-[(1S,2S)-1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 10743863
tert-butyl-[1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 15213976
Tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane
CID 85201151
tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane
CID 134879163
Tert-butyl-[4-[3-(2-methoxypropan-2-yloxy)cyclopenten-1-yl]butoxy]-dimethylsilane
CID 10315372
tert-butyl-[(1S,2S)-2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane
CID 10674515
tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(1-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane
CID 10743565
tert-butyl-[(E,8R,11R)-8-[tert-butyl(dimethyl)silyl]oxy-11-(methoxymethoxy)-11-tributylstannylundec-9-enoxy]-dimethylsilane
CID 10996316
tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane
CID 11082739
tert-butyl-[(E,3S)-1-[[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 11158058

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane (CID 10789888) is tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane is C/C=C/C(CCCCCCC)OC(CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane?
The InChIKey is OMXBREKZZWYZHH-NTEUORMPSA-N. The full InChI is InChI=1S/C19H39IO2Si/c1-8-10-11-12-13-15-17(14-9-2)21-18(16-20)22-23(6,7)19(3,4)5/h9,14,17-18H,8,10-13,15-16H2,1-7H3/b14-9+.
What are the key properties of tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane?
tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane has a molecular weight of 454.51 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane is sourced from PubChem (CID 10789888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).