anthracen-1-ylmethyl(diethoxy)silane

C19H22O2Si — CID 154112454

IUPACanthracen-1-ylmethyl(diethoxy)silane
SMILESCCO[SiH](Cc1cccc2cc3ccccc3cc12)OCC
InChIInChI=1S/C19H22O2Si/c1-3-20-22(21-4-2)14-18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h5-13,22H,3-4,14H2,1-2H3
InChIKeyULGULEHMEMWVRG-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.37
Rot. Bonds6

About anthracen-1-ylmethyl(diethoxy)silane

anthracen-1-ylmethyl(diethoxy)silane (PubChem CID 154112454) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is anthracen-1-ylmethyl(diethoxy)silane.

Molecular Properties

Compound Nameanthracen-1-ylmethyl(diethoxy)silane
PubChem CID154112454
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Nameanthracen-1-ylmethyl(diethoxy)silane
SMILESCCO[SiH](Cc1cccc2cc3ccccc3cc12)OCC
InChIInChI=1S/C19H22O2Si/c1-3-20-22(21-4-2)14-18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h5-13,22H,3-4,14H2,1-2H3
InChIKeyULGULEHMEMWVRG-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-1-ylmethyl(diethoxy)silane?
The IUPAC name of anthracen-1-ylmethyl(diethoxy)silane (CID 154112454) is anthracen-1-ylmethyl(diethoxy)silane.
What is the SMILES notation for anthracen-1-ylmethyl(diethoxy)silane?
The canonical SMILES for anthracen-1-ylmethyl(diethoxy)silane is CCO[SiH](Cc1cccc2cc3ccccc3cc12)OCC.
What is the InChIKey of anthracen-1-ylmethyl(diethoxy)silane?
The InChIKey is ULGULEHMEMWVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-3-20-22(21-4-2)14-18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h5-13,22H,3-4,14H2,1-2H3.
What are the key properties of anthracen-1-ylmethyl(diethoxy)silane?
anthracen-1-ylmethyl(diethoxy)silane has a molecular weight of 310.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-ylmethyl(diethoxy)silane is sourced from PubChem (CID 154112454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).