cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane

C17H34O4Si — CID 174896881

IUPACcyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
SMILESC1CCCCC1.CC[Si](OC)(OC)OCC1CCC2OC2C1
InChIInChI=1S/C11H22O4Si.C6H12/c1-4-16(12-2,13-3)14-8-9-5-6-10-11(7-9)15-10;1-2-4-6-5-3-1/h9-11H,4-8H2,1-3H3;1-6H2
InChIKeyVBZQOUATSBDEAZ-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.16
Rot. Bonds6

About cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane

cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane (PubChem CID 174896881) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane.

Molecular Properties

Compound Namecyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
PubChem CID174896881
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Namecyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane
SMILESC1CCCCC1.CC[Si](OC)(OC)OCC1CCC2OC2C1
InChIInChI=1S/C11H22O4Si.C6H12/c1-4-16(12-2,13-3)14-8-9-5-6-10-11(7-9)15-10;1-2-4-6-5-3-1/h9-11H,4-8H2,1-3H3;1-6H2
InChIKeyVBZQOUATSBDEAZ-UHFFFAOYSA-N
XLogP4.16
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
The IUPAC name of cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane (CID 174896881) is cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane.
What is the SMILES notation for cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
The canonical SMILES for cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane is C1CCCCC1.CC[Si](OC)(OC)OCC1CCC2OC2C1.
What is the InChIKey of cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
The InChIKey is VBZQOUATSBDEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si.C6H12/c1-4-16(12-2,13-3)14-8-9-5-6-10-11(7-9)15-10;1-2-4-6-5-3-1/h9-11H,4-8H2,1-3H3;1-6H2.
What are the key properties of cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane?
cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane has a molecular weight of 330.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethyl-dimethoxy-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)silane is sourced from PubChem (CID 174896881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).