CID 136861606

C13H23O3Si — CID 136861606

IUPAC—
SMILESCCOC(=O)C(C)C1(O[Si](C)C)C=CCCC1
InChIInChI=1S/C13H23O3Si/c1-5-15-12(14)11(2)13(16-17(3)4)9-7-6-8-10-13/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyHBYSJEYIYQTIDJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.93
Rot. Bonds5

About CID 136861606

CID 136861606 (PubChem CID 136861606) has the molecular formula C13H23O3Si and a molecular weight of 255.41 g/mol.

Molecular Properties

Compound NameCID 136861606
PubChem CID136861606
Molecular FormulaC13H23O3Si
Molecular Weight255.41 g/mol
Exact Mass255.14
IUPAC Name—
SMILESCCOC(=O)C(C)C1(O[Si](C)C)C=CCCC1
InChIInChI=1S/C13H23O3Si/c1-5-15-12(14)11(2)13(16-17(3)4)9-7-6-8-10-13/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyHBYSJEYIYQTIDJ-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 136861606 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 136861606?
The IUPAC name of CID 136861606 (CID 136861606) is not available.
What is the SMILES notation for CID 136861606?
The canonical SMILES for CID 136861606 is CCOC(=O)C(C)C1(O[Si](C)C)C=CCCC1.
What is the InChIKey of CID 136861606?
The InChIKey is HBYSJEYIYQTIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O3Si/c1-5-15-12(14)11(2)13(16-17(3)4)9-7-6-8-10-13/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of CID 136861606?
CID 136861606 has a molecular weight of 255.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136861606 is sourced from PubChem (CID 136861606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).