anthracen-1-yl-(bromomethoxy)-dimethoxysilane

C17H17BrO3Si — CID 87375026

IUPACanthracen-1-yl-(bromomethoxy)-dimethoxysilane
SMILESCO[Si](OC)(OCBr)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H17BrO3Si/c1-19-22(20-2,21-12-18)17-9-5-8-15-10-13-6-3-4-7-14(13)11-16(15)17/h3-11H,12H2,1-2H3
InChIKeyCBHJFKCCPLUXQT-UHFFFAOYSA-N
MW377.31 g/mol
LogP3.80
Rot. Bonds5

About anthracen-1-yl-(bromomethoxy)-dimethoxysilane

anthracen-1-yl-(bromomethoxy)-dimethoxysilane (PubChem CID 87375026) has the molecular formula C17H17BrO3Si and a molecular weight of 377.31 g/mol. Its IUPAC name is anthracen-1-yl-(bromomethoxy)-dimethoxysilane.

Molecular Properties

Compound Nameanthracen-1-yl-(bromomethoxy)-dimethoxysilane
PubChem CID87375026
Molecular FormulaC17H17BrO3Si
Molecular Weight377.31 g/mol
Exact Mass376.01
IUPAC Nameanthracen-1-yl-(bromomethoxy)-dimethoxysilane
SMILESCO[Si](OC)(OCBr)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H17BrO3Si/c1-19-22(20-2,21-12-18)17-9-5-8-15-10-13-6-3-4-7-14(13)11-16(15)17/h3-11H,12H2,1-2H3
InChIKeyCBHJFKCCPLUXQT-UHFFFAOYSA-N
XLogP3.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-yl-(bromomethoxy)-dimethoxysilane?
The IUPAC name of anthracen-1-yl-(bromomethoxy)-dimethoxysilane (CID 87375026) is anthracen-1-yl-(bromomethoxy)-dimethoxysilane.
What is the SMILES notation for anthracen-1-yl-(bromomethoxy)-dimethoxysilane?
The canonical SMILES for anthracen-1-yl-(bromomethoxy)-dimethoxysilane is CO[Si](OC)(OCBr)c1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-yl-(bromomethoxy)-dimethoxysilane?
The InChIKey is CBHJFKCCPLUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3Si/c1-19-22(20-2,21-12-18)17-9-5-8-15-10-13-6-3-4-7-14(13)11-16(15)17/h3-11H,12H2,1-2H3.
What are the key properties of anthracen-1-yl-(bromomethoxy)-dimethoxysilane?
anthracen-1-yl-(bromomethoxy)-dimethoxysilane has a molecular weight of 377.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl-(bromomethoxy)-dimethoxysilane is sourced from PubChem (CID 87375026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).