CID 139999097

C5H11Cl2OSi — CID 139999097

IUPAC—
SMILESCCCCCO[Si](Cl)Cl
InChIInChI=1S/C5H11Cl2OSi/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3
InChIKeyRMTYPTBLOYQHNR-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.66
Rot. Bonds5

About CID 139999097

CID 139999097 (PubChem CID 139999097) has the molecular formula C5H11Cl2OSi and a molecular weight of 186.13 g/mol.

Molecular Properties

Compound NameCID 139999097
PubChem CID139999097
Molecular FormulaC5H11Cl2OSi
Molecular Weight186.13 g/mol
Exact Mass185.00
IUPAC Name—
SMILESCCCCCO[Si](Cl)Cl
InChIInChI=1S/C5H11Cl2OSi/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3
InChIKeyRMTYPTBLOYQHNR-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 139999097 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 139999097?
The IUPAC name of CID 139999097 (CID 139999097) is not available.
What is the SMILES notation for CID 139999097?
The canonical SMILES for CID 139999097 is CCCCCO[Si](Cl)Cl.
What is the InChIKey of CID 139999097?
The InChIKey is RMTYPTBLOYQHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2OSi/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3.
What are the key properties of CID 139999097?
CID 139999097 has a molecular weight of 186.13 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139999097 is sourced from PubChem (CID 139999097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).