cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane

C13H26OSi — CID 531361

IUPACcyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCC(C)=CCO[Si](C)(C)C1CCCCC1
InChIInChI=1S/C13H26OSi/c1-12(2)10-11-14-15(3,4)13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3
InChIKeyVOANVLNAPIXHTJ-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.51
Rot. Bonds4

About cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane

cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane (PubChem CID 531361) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane
PubChem CID531361
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namecyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane
SMILESCC(C)=CCO[Si](C)(C)C1CCCCC1
InChIInChI=1S/C13H26OSi/c1-12(2)10-11-14-15(3,4)13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3
InChIKeyVOANVLNAPIXHTJ-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane?
The IUPAC name of cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane (CID 531361) is cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane.
What is the SMILES notation for cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane?
The canonical SMILES for cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane is CC(C)=CCO[Si](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane?
The InChIKey is VOANVLNAPIXHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-12(2)10-11-14-15(3,4)13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3.
What are the key properties of cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane?
cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane has a molecular weight of 226.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-(3-methylbut-2-enoxy)silane is sourced from PubChem (CID 531361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).