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

C27H55IO2Si — CID 134879163

IUPACtert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane
SMILESC/C=C/C(CCCCCCC)OC(O[Si](C)(C)C(C)(C)C)C(I)CCCCCCCC
InChIInChI=1S/C27H55IO2Si/c1-9-12-14-16-18-20-23-25(28)26(30-31(7,8)27(4,5)6)29-24(21-11-3)22-19-17-15-13-10-2/h11,21,24-26H,9-10,12-20,22-23H2,1-8H3/b21-11+
InChIKeyJKODEOJHGJCPPC-SRZZPIQSSA-N
MW566.73 g/mol
LogP10.21
Rot. Bonds19

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

tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane (PubChem CID 134879163) has the molecular formula C27H55IO2Si and a molecular weight of 566.73 g/mol. Its IUPAC name is tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane
PubChem CID134879163
Molecular FormulaC27H55IO2Si
Molecular Weight566.73 g/mol
Exact Mass566.30
IUPAC Nametert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane
SMILESC/C=C/C(CCCCCCC)OC(O[Si](C)(C)C(C)(C)C)C(I)CCCCCCCC
InChIInChI=1S/C27H55IO2Si/c1-9-12-14-16-18-20-23-25(28)26(30-31(7,8)27(4,5)6)29-24(21-11-3)22-19-17-15-13-10-2/h11,21,24-26H,9-10,12-20,22-23H2,1-8H3/b21-11+
InChIKeyJKODEOJHGJCPPC-SRZZPIQSSA-N
XLogP10.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.73
LogP ≤ 510.21
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-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane
CID 10789888
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-[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]oxydecoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane (CID 134879163) is tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane is C/C=C/C(CCCCCCC)OC(O[Si](C)(C)C(C)(C)C)C(I)CCCCCCCC.
What is the InChIKey of tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane?
The InChIKey is JKODEOJHGJCPPC-SRZZPIQSSA-N. The full InChI is InChI=1S/C27H55IO2Si/c1-9-12-14-16-18-20-23-25(28)26(30-31(7,8)27(4,5)6)29-24(21-11-3)22-19-17-15-13-10-2/h11,21,24-26H,9-10,12-20,22-23H2,1-8H3/b21-11+.
What are the key properties of tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane?
tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane has a molecular weight of 566.73 g/mol, XLogP of 10.21, 19 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]oxydecoxy]-dimethylsilane is sourced from PubChem (CID 134879163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).