triethoxy(phenanthren-3-yl)silane

C20H24O3Si — CID 165394942

IUPACtriethoxy(phenanthren-3-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C20H24O3Si/c1-4-21-24(22-5-2,23-6-3)18-14-13-17-12-11-16-9-7-8-10-19(16)20(17)15-18/h7-15H,4-6H2,1-3H3
InChIKeyZNUCHDNUZFGVIU-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.25
Rot. Bonds7

About triethoxy(phenanthren-3-yl)silane

triethoxy(phenanthren-3-yl)silane (PubChem CID 165394942) has the molecular formula C20H24O3Si and a molecular weight of 340.50 g/mol. Its IUPAC name is triethoxy(phenanthren-3-yl)silane.

Molecular Properties

Compound Nametriethoxy(phenanthren-3-yl)silane
PubChem CID165394942
Molecular FormulaC20H24O3Si
Molecular Weight340.50 g/mol
Exact Mass340.15
IUPAC Nametriethoxy(phenanthren-3-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C20H24O3Si/c1-4-21-24(22-5-2,23-6-3)18-14-13-17-12-11-16-9-7-8-10-19(16)20(17)15-18/h7-15H,4-6H2,1-3H3
InChIKeyZNUCHDNUZFGVIU-UHFFFAOYSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy(phenanthren-3-yl)silane?
The IUPAC name of triethoxy(phenanthren-3-yl)silane (CID 165394942) is triethoxy(phenanthren-3-yl)silane.
What is the SMILES notation for triethoxy(phenanthren-3-yl)silane?
The canonical SMILES for triethoxy(phenanthren-3-yl)silane is CCO[Si](OCC)(OCC)c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of triethoxy(phenanthren-3-yl)silane?
The InChIKey is ZNUCHDNUZFGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3Si/c1-4-21-24(22-5-2,23-6-3)18-14-13-17-12-11-16-9-7-8-10-19(16)20(17)15-18/h7-15H,4-6H2,1-3H3.
What are the key properties of triethoxy(phenanthren-3-yl)silane?
triethoxy(phenanthren-3-yl)silane has a molecular weight of 340.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(phenanthren-3-yl)silane is sourced from PubChem (CID 165394942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).