cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane

C19H40O2Si — CID 18412974

IUPACcyclohexylmethyl-diethoxy-(2-ethylhexyl)silane
SMILESCCCCC(CC)C[Si](CC1CCCCC1)(OCC)OCC
InChIInChI=1S/C19H40O2Si/c1-5-9-13-18(6-2)16-22(20-7-3,21-8-4)17-19-14-11-10-12-15-19/h18-19H,5-17H2,1-4H3
InChIKeyXOYSZGYGXHOCHX-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.30
Rot. Bonds12

About cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane

cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane (PubChem CID 18412974) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane.

Molecular Properties

Compound Namecyclohexylmethyl-diethoxy-(2-ethylhexyl)silane
PubChem CID18412974
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Namecyclohexylmethyl-diethoxy-(2-ethylhexyl)silane
SMILESCCCCC(CC)C[Si](CC1CCCCC1)(OCC)OCC
InChIInChI=1S/C19H40O2Si/c1-5-9-13-18(6-2)16-22(20-7-3,21-8-4)17-19-14-11-10-12-15-19/h18-19H,5-17H2,1-4H3
InChIKeyXOYSZGYGXHOCHX-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane?
The IUPAC name of cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane (CID 18412974) is cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane.
What is the SMILES notation for cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane?
The canonical SMILES for cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane is CCCCC(CC)C[Si](CC1CCCCC1)(OCC)OCC.
What is the InChIKey of cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane?
The InChIKey is XOYSZGYGXHOCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-5-9-13-18(6-2)16-22(20-7-3,21-8-4)17-19-14-11-10-12-15-19/h18-19H,5-17H2,1-4H3.
What are the key properties of cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane?
cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane has a molecular weight of 328.61 g/mol, XLogP of 6.30, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-diethoxy-(2-ethylhexyl)silane is sourced from PubChem (CID 18412974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).