tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane

C18H34OSi — CID 138964883

IUPACtert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane
SMILESCC#C[C@H](C/C=C/CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-8-10-11-12-13-14-16-17(15-9-2)19-20(6,7)18(3,4)5/h13-14,17H,8,10-12,16H2,1-7H3/b14-13+/t17-/m1/s1
InChIKeyHHZBTTDAOJWPDA-TUQDCPSNSA-N
MW294.56 g/mol
LogP5.93
Rot. Bonds8

About tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane (PubChem CID 138964883) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane
PubChem CID138964883
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane
SMILESCC#C[C@H](C/C=C/CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-8-10-11-12-13-14-16-17(15-9-2)19-20(6,7)18(3,4)5/h13-14,17H,8,10-12,16H2,1-7H3/b14-13+/t17-/m1/s1
InChIKeyHHZBTTDAOJWPDA-TUQDCPSNSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.93
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
CID 18396825
2-Trihexylsilyloxyoct-3-ene
CID 5353195
(S,Z)-(Heptadeca-1,9-dien-4,6-diyn-3-yloxy)trimethylsilane
CID 91696433
cis-3-Nonen-1-ol, tert-butyldimethylsilyl ether
CID 91732583
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(Z,2S)-1-triethylsilyloxydec-4-en-2-yl]oxysilane
CID 11475089
tert-butyl-[(1E,3R,5Z)-1-iodoundeca-1,5-dien-3-yl]oxy-dimethylsilane
CID 13963486
tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
CID 14918716
tert-butyl-dimethyl-[(4S)-7-methyl-6-(tributylstannylmethyl)octa-1,6-dien-4-yl]oxysilane
CID 16079530
tert-butyl-[(1E,5Z)-1-iodoundeca-1,5-dien-3-yl]oxy-dimethylsilane
CID 21762435

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane (CID 138964883) is tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane is CC#C[C@H](C/C=C/CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane?
The InChIKey is HHZBTTDAOJWPDA-TUQDCPSNSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-10-11-12-13-14-16-17(15-9-2)19-20(6,7)18(3,4)5/h13-14,17H,8,10-12,16H2,1-7H3/b14-13+/t17-/m1/s1.
What are the key properties of tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 138964883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).