(10-bromoanthracen-9-yl)-trimethoxysilane

C17H17BrO3Si — CID 59243801

IUPAC(10-bromoanthracen-9-yl)-trimethoxysilane
SMILESCO[Si](OC)(OC)c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C17H17BrO3Si/c1-19-22(20-2,21-3)17-14-10-6-4-8-12(14)16(18)13-9-5-7-11-15(13)17/h4-11H,1-3H3
InChIKeyMLWWSEVYEQNIRZ-UHFFFAOYSA-N
MW377.31 g/mol
LogP3.84
Rot. Bonds4

About (10-bromoanthracen-9-yl)-trimethoxysilane

(10-bromoanthracen-9-yl)-trimethoxysilane (PubChem CID 59243801) has the molecular formula C17H17BrO3Si and a molecular weight of 377.31 g/mol. Its IUPAC name is (10-bromoanthracen-9-yl)-trimethoxysilane.

Molecular Properties

Compound Name(10-bromoanthracen-9-yl)-trimethoxysilane
PubChem CID59243801
Molecular FormulaC17H17BrO3Si
Molecular Weight377.31 g/mol
Exact Mass376.01
IUPAC Name(10-bromoanthracen-9-yl)-trimethoxysilane
SMILESCO[Si](OC)(OC)c1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C17H17BrO3Si/c1-19-22(20-2,21-3)17-14-10-6-4-8-12(14)16(18)13-9-5-7-11-15(13)17/h4-11H,1-3H3
InChIKeyMLWWSEVYEQNIRZ-UHFFFAOYSA-N
XLogP3.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.84
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 (10-bromoanthracen-9-yl)-trimethoxysilane?
The IUPAC name of (10-bromoanthracen-9-yl)-trimethoxysilane (CID 59243801) is (10-bromoanthracen-9-yl)-trimethoxysilane.
What is the SMILES notation for (10-bromoanthracen-9-yl)-trimethoxysilane?
The canonical SMILES for (10-bromoanthracen-9-yl)-trimethoxysilane is CO[Si](OC)(OC)c1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of (10-bromoanthracen-9-yl)-trimethoxysilane?
The InChIKey is MLWWSEVYEQNIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3Si/c1-19-22(20-2,21-3)17-14-10-6-4-8-12(14)16(18)13-9-5-7-11-15(13)17/h4-11H,1-3H3.
What are the key properties of (10-bromoanthracen-9-yl)-trimethoxysilane?
(10-bromoanthracen-9-yl)-trimethoxysilane has a molecular weight of 377.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-bromoanthracen-9-yl)-trimethoxysilane is sourced from PubChem (CID 59243801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).