trimethoxy-(9-methylanthracen-1-yl)silane

C18H20O3Si — CID 87512165

IUPACtrimethoxy-(9-methylanthracen-1-yl)silane
SMILESCO[Si](OC)(OC)c1cccc2cc3ccccc3c(C)c12
InChIInChI=1S/C18H20O3Si/c1-13-16-10-6-5-8-14(16)12-15-9-7-11-17(18(13)15)22(19-2,20-3)21-4/h5-12H,1-4H3
InChIKeyWBYFRLYSBSQTOB-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.39
Rot. Bonds4

About trimethoxy-(9-methylanthracen-1-yl)silane

trimethoxy-(9-methylanthracen-1-yl)silane (PubChem CID 87512165) has the molecular formula C18H20O3Si and a molecular weight of 312.44 g/mol. Its IUPAC name is trimethoxy-(9-methylanthracen-1-yl)silane.

Molecular Properties

Compound Nametrimethoxy-(9-methylanthracen-1-yl)silane
PubChem CID87512165
Molecular FormulaC18H20O3Si
Molecular Weight312.44 g/mol
Exact Mass312.12
IUPAC Nametrimethoxy-(9-methylanthracen-1-yl)silane
SMILESCO[Si](OC)(OC)c1cccc2cc3ccccc3c(C)c12
InChIInChI=1S/C18H20O3Si/c1-13-16-10-6-5-8-14(16)12-15-9-7-11-17(18(13)15)22(19-2,20-3)21-4/h5-12H,1-4H3
InChIKeyWBYFRLYSBSQTOB-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.39
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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-(9-methylanthracen-1-yl)silane?
The IUPAC name of trimethoxy-(9-methylanthracen-1-yl)silane (CID 87512165) is trimethoxy-(9-methylanthracen-1-yl)silane.
What is the SMILES notation for trimethoxy-(9-methylanthracen-1-yl)silane?
The canonical SMILES for trimethoxy-(9-methylanthracen-1-yl)silane is CO[Si](OC)(OC)c1cccc2cc3ccccc3c(C)c12.
What is the InChIKey of trimethoxy-(9-methylanthracen-1-yl)silane?
The InChIKey is WBYFRLYSBSQTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3Si/c1-13-16-10-6-5-8-14(16)12-15-9-7-11-17(18(13)15)22(19-2,20-3)21-4/h5-12H,1-4H3.
What are the key properties of trimethoxy-(9-methylanthracen-1-yl)silane?
trimethoxy-(9-methylanthracen-1-yl)silane has a molecular weight of 312.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(9-methylanthracen-1-yl)silane is sourced from PubChem (CID 87512165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).