8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one

C18H28O4Si — CID 11067685

IUPAC8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCO[Si](CCc1cccc2c1C(=O)CCC2)(OCC)OCC
InChIInChI=1S/C18H28O4Si/c1-4-20-23(21-5-2,22-6-3)14-13-16-10-7-9-15-11-8-12-17(19)18(15)16/h7,9-10H,4-6,8,11-14H2,1-3H3
InChIKeyCEKVXZYYDOWEGW-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.80
Rot. Bonds9

About 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one

8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11067685) has the molecular formula C18H28O4Si and a molecular weight of 336.50 g/mol. Its IUPAC name is 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11067685
Molecular FormulaC18H28O4Si
Molecular Weight336.50 g/mol
Exact Mass336.18
IUPAC Name8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCO[Si](CCc1cccc2c1C(=O)CCC2)(OCC)OCC
InChIInChI=1S/C18H28O4Si/c1-4-20-23(21-5-2,22-6-3)14-13-16-10-7-9-15-11-8-12-17(19)18(15)16/h7,9-10H,4-6,8,11-14H2,1-3H3
InChIKeyCEKVXZYYDOWEGW-UHFFFAOYSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 11067685) is 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one is CCO[Si](CCc1cccc2c1C(=O)CCC2)(OCC)OCC.
What is the InChIKey of 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CEKVXZYYDOWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4Si/c1-4-20-23(21-5-2,22-6-3)14-13-16-10-7-9-15-11-8-12-17(19)18(15)16/h7,9-10H,4-6,8,11-14H2,1-3H3.
What are the key properties of 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one?
8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 336.50 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-triethoxysilylethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11067685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).