1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol

C18H36OSi — CID 101261967

IUPAC1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol
SMILESCCCCCCCCC(O)CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-7-8-9-10-11-12-14-17(19)15-13-16-20(5,6)18(2,3)4/h17,19H,7-12,14-15H2,1-6H3
InChIKeyNRVCEKGMODLSIY-UHFFFAOYSA-N
MW296.57 g/mol
LogP5.54
Rot. Bonds8

About 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol

1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol (PubChem CID 101261967) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol
PubChem CID101261967
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol
SMILESCCCCCCCCC(O)CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-7-8-9-10-11-12-14-17(19)15-13-16-20(5,6)18(2,3)4/h17,19H,7-12,14-15H2,1-6H3
InChIKeyNRVCEKGMODLSIY-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
CID 164610642
(3S)-1-trimethylsilyloct-1-yn-3-ol
CID 12447768
6-Heneicosyn-11-ol
CID 108263
3-Fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol
CID 10806206
tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
1-Tri(propan-2-yl)silyldodec-1-yn-4-ol
CID 12120914
1-Decyn-3-ol, 1-(trimethylsilyl)-
CID 10955284
1-Trimethylsilylnon-1-yn-3-ol
CID 15695620
TMS-Octadecanol
CID 129890013
(5S)-1-trimethylsilyldec-1-yn-5-ol
CID 135001882
12-[Tert-butyl(dimethyl)silyl]oxydodecan-2-ol
CID 90302960
2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol (CID 101261967) is 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol is CCCCCCCCC(O)CC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol?
The InChIKey is NRVCEKGMODLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-7-8-9-10-11-12-14-17(19)15-13-16-20(5,6)18(2,3)4/h17,19H,7-12,14-15H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol?
1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol has a molecular weight of 296.57 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol is sourced from PubChem (CID 101261967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).