cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane

C16H28O2Si — CID 101235928

IUPACcyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)C1CCCCC1
InChIInChI=1S/C16H28O2Si/c1-4-16(18-15-12-8-9-13-17-15)19(2,3)14-10-6-5-7-11-14/h14-15H,1,5-13H2,2-3H3
InChIKeyGTFAFIYQPUASBG-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.78
Rot. Bonds4

About cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane

cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane (PubChem CID 101235928) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
PubChem CID101235928
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Namecyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
SMILESC=C=C(OC1CCCCO1)[Si](C)(C)C1CCCCC1
InChIInChI=1S/C16H28O2Si/c1-4-16(18-15-12-8-9-13-17-15)19(2,3)14-10-6-5-7-11-14/h14-15H,1,5-13H2,2-3H3
InChIKeyGTFAFIYQPUASBG-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
The IUPAC name of cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane (CID 101235928) is cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane.
What is the SMILES notation for cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
The canonical SMILES for cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane is C=C=C(OC1CCCCO1)[Si](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
The InChIKey is GTFAFIYQPUASBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-4-16(18-15-12-8-9-13-17-15)19(2,3)14-10-6-5-7-11-14/h14-15H,1,5-13H2,2-3H3.
What are the key properties of cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane?
cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane has a molecular weight of 280.48 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane is sourced from PubChem (CID 101235928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).