cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

C17H32OSi — CID 531364

IUPACcyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C1CCCCC1
InChIInChI=1S/C17H32OSi/c1-6-7-11-16(14-15(2)3)18-19(4,5)17-12-9-8-10-13-17/h15-17H,6,8-10,12-14H2,1-5H3
InChIKeyHVKCECFTQNUEOK-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.37
Rot. Bonds5

About cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 531364) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
PubChem CID531364
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Namecyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C1CCCCC1
InChIInChI=1S/C17H32OSi/c1-6-7-11-16(14-15(2)3)18-19(4,5)17-12-9-8-10-13-17/h15-17H,6,8-10,12-14H2,1-5H3
InChIKeyHVKCECFTQNUEOK-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.37
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 cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (CID 531364) is cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is HVKCECFTQNUEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-6-7-11-16(14-15(2)3)18-19(4,5)17-12-9-8-10-13-17/h15-17H,6,8-10,12-14H2,1-5H3.
What are the key properties of cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 280.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 531364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).