CID 87740870

C8H18BrOSi — CID 87740870

IUPAC—
SMILESC[Si](C)OC(C)(C)CCCBr
InChIInChI=1S/C8H18BrOSi/c1-8(2,6-5-7-9)10-11(3)4/h5-7H2,1-4H3
InChIKeyLASBWRLTAGPVMX-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.21
Rot. Bonds5

About CID 87740870

CID 87740870 (PubChem CID 87740870) has the molecular formula C8H18BrOSi and a molecular weight of 238.22 g/mol.

Molecular Properties

Compound NameCID 87740870
PubChem CID87740870
Molecular FormulaC8H18BrOSi
Molecular Weight238.22 g/mol
Exact Mass237.03
IUPAC Name—
SMILESC[Si](C)OC(C)(C)CCCBr
InChIInChI=1S/C8H18BrOSi/c1-8(2,6-5-7-9)10-11(3)4/h5-7H2,1-4H3
InChIKeyLASBWRLTAGPVMX-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87740870 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 87740870?
The IUPAC name of CID 87740870 (CID 87740870) is not available.
What is the SMILES notation for CID 87740870?
The canonical SMILES for CID 87740870 is C[Si](C)OC(C)(C)CCCBr.
What is the InChIKey of CID 87740870?
The InChIKey is LASBWRLTAGPVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrOSi/c1-8(2,6-5-7-9)10-11(3)4/h5-7H2,1-4H3.
What are the key properties of CID 87740870?
CID 87740870 has a molecular weight of 238.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87740870 is sourced from PubChem (CID 87740870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).