tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane

C16H24OSi — CID 134994846

IUPACtert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CCCC1
InChIInChI=1S/C16H24OSi/c1-16(2,3)18(4,5)17-15-13-11-9-7-6-8-10-12-14-15/h7,9,15H,10,12,14H2,1-5H3/b9-7-
InChIKeyUTBXITAEGQVBJP-CLFYSBASSA-N
MW260.45 g/mol
LogP4.12
Rot. Bonds2

About tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane

tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane (PubChem CID 134994846) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
PubChem CID134994846
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Nametert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CCCC1
InChIInChI=1S/C16H24OSi/c1-16(2,3)18(4,5)17-15-13-11-9-7-6-8-10-12-14-15/h7,9,15H,10,12,14H2,1-5H3/b9-7-
InChIKeyUTBXITAEGQVBJP-CLFYSBASSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.12
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'}

Analyze tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane (CID 134994846) is tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C#C/C=C\C#CCCC1.
What is the InChIKey of tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
The InChIKey is UTBXITAEGQVBJP-CLFYSBASSA-N. The full InChI is InChI=1S/C16H24OSi/c1-16(2,3)18(4,5)17-15-13-11-9-7-6-8-10-12-14-15/h7,9,15H,10,12,14H2,1-5H3/b9-7-.
What are the key properties of tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane?
tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 260.45 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4Z)-cyclodec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134994846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).