tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane

C17H26OSi — CID 10869509

IUPACtert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC#C/C=C\C#CCC1
InChIInChI=1S/C17H26OSi/c1-17(2,3)19(4,5)18-15-16-13-11-9-7-6-8-10-12-14-16/h6-7,16H,12-15H2,1-5H3/b7-6-
InChIKeyLISWGZPPHFAKGL-SREVYHEPSA-N
MW274.48 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane

tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane (PubChem CID 10869509) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane
PubChem CID10869509
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Nametert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC#C/C=C\C#CCC1
InChIInChI=1S/C17H26OSi/c1-17(2,3)19(4,5)18-15-16-13-11-9-7-6-8-10-12-14-16/h6-7,16H,12-15H2,1-5H3/b7-6-
InChIKeyLISWGZPPHFAKGL-SREVYHEPSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane (CID 10869509) is tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CC#C/C=C\C#CCC1.
What is the InChIKey of tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane?
The InChIKey is LISWGZPPHFAKGL-SREVYHEPSA-N. The full InChI is InChI=1S/C17H26OSi/c1-17(2,3)19(4,5)18-15-16-13-11-9-7-6-8-10-12-14-16/h6-7,16H,12-15H2,1-5H3/b7-6-.
What are the key properties of tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane has a molecular weight of 274.48 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10869509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).