cyclohexen-1-ylmethyl(triethoxy)silane

C13H26O3Si — CID 23109701

IUPACcyclohexen-1-ylmethyl(triethoxy)silane
SMILESCCO[Si](CC1=CCCCC1)(OCC)OCC
InChIInChI=1S/C13H26O3Si/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13/h10H,4-9,11-12H2,1-3H3
InChIKeyHNPMCRFOTNXHPH-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.54
Rot. Bonds8

About cyclohexen-1-ylmethyl(triethoxy)silane

cyclohexen-1-ylmethyl(triethoxy)silane (PubChem CID 23109701) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is cyclohexen-1-ylmethyl(triethoxy)silane.

Molecular Properties

Compound Namecyclohexen-1-ylmethyl(triethoxy)silane
PubChem CID23109701
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namecyclohexen-1-ylmethyl(triethoxy)silane
SMILESCCO[Si](CC1=CCCCC1)(OCC)OCC
InChIInChI=1S/C13H26O3Si/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13/h10H,4-9,11-12H2,1-3H3
InChIKeyHNPMCRFOTNXHPH-UHFFFAOYSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclohexen-1-ylmethyl(triethoxy)silane?
The IUPAC name of cyclohexen-1-ylmethyl(triethoxy)silane (CID 23109701) is cyclohexen-1-ylmethyl(triethoxy)silane.
What is the SMILES notation for cyclohexen-1-ylmethyl(triethoxy)silane?
The canonical SMILES for cyclohexen-1-ylmethyl(triethoxy)silane is CCO[Si](CC1=CCCCC1)(OCC)OCC.
What is the InChIKey of cyclohexen-1-ylmethyl(triethoxy)silane?
The InChIKey is HNPMCRFOTNXHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13/h10H,4-9,11-12H2,1-3H3.
What are the key properties of cyclohexen-1-ylmethyl(triethoxy)silane?
cyclohexen-1-ylmethyl(triethoxy)silane has a molecular weight of 258.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethyl(triethoxy)silane is sourced from PubChem (CID 23109701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).