tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane

C18H38OSi — CID 135039668

IUPACtert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane
SMILESC=CCCCCCCCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-8-9-10-11-12-13-14-15-16-17(2)19-20(6,7)18(3,4)5/h8,17H,1,9-16H2,2-7H3/t17-/m0/s1
InChIKeyFNMDNAOXNQKLFG-KRWDZBQOSA-N
MW298.59 g/mol
LogP6.70
Rot. Bonds11

About tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane (PubChem CID 135039668) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane
PubChem CID135039668
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Nametert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane
SMILESC=CCCCCCCCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-8-9-10-11-12-13-14-15-16-17(2)19-20(6,7)18(3,4)5/h8,17H,1,9-16H2,2-7H3/t17-/m0/s1
InChIKeyFNMDNAOXNQKLFG-KRWDZBQOSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Silane, (1,1-dimethylethyl)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
Trimethyl(undec-10-enoxy)silane
CID 554429
1-Triethylsilyloxyundec-10-ene
CID 568575
Trimethyl(non-1-en-3-yloxy)silane
CID 12166838
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
9-Decen-1-ol, TMS derivative
CID 12578077
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
1-Lithio-3-(t-butyldimethylsilyloxy)-trans-octene
CID 11128673
tert-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane (CID 135039668) is tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane is C=CCCCCCCCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane?
The InChIKey is FNMDNAOXNQKLFG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H38OSi/c1-8-9-10-11-12-13-14-15-16-17(2)19-20(6,7)18(3,4)5/h8,17H,1,9-16H2,2-7H3/t17-/m0/s1.
What are the key properties of tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane has a molecular weight of 298.59 g/mol, XLogP of 6.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 135039668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).