CID 137241968

C16H36O6SSi3 — CID 137241968

IUPAC—
SMILESC[Si](C)(C)OC(O[Si](C)(C)C)[Si]CCCOCCOC1CCCS1(=O)=O
InChIInChI=1S/C16H36O6SSi3/c1-25(2,3)21-16(22-26(4,5)6)24-14-8-10-19-11-12-20-15-9-7-13-23(15,17)18/h15-16H,7-14H2,1-6H3
InChIKeyMUWBLAQPCGNIRD-UHFFFAOYSA-N
MW440.78 g/mol
LogP3.05
Rot. Bonds13

About CID 137241968

CID 137241968 (PubChem CID 137241968) has the molecular formula C16H36O6SSi3 and a molecular weight of 440.78 g/mol.

Molecular Properties

Compound NameCID 137241968
PubChem CID137241968
Molecular FormulaC16H36O6SSi3
Molecular Weight440.78 g/mol
Exact Mass440.15
IUPAC Name—
SMILESC[Si](C)(C)OC(O[Si](C)(C)C)[Si]CCCOCCOC1CCCS1(=O)=O
InChIInChI=1S/C16H36O6SSi3/c1-25(2,3)21-16(22-26(4,5)6)24-14-8-10-19-11-12-20-15-9-7-13-23(15,17)18/h15-16H,7-14H2,1-6H3
InChIKeyMUWBLAQPCGNIRD-UHFFFAOYSA-N
XLogP3.05
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.78
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 137241968 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 137241968?
The IUPAC name of CID 137241968 (CID 137241968) is not available.
What is the SMILES notation for CID 137241968?
The canonical SMILES for CID 137241968 is C[Si](C)(C)OC(O[Si](C)(C)C)[Si]CCCOCCOC1CCCS1(=O)=O.
What is the InChIKey of CID 137241968?
The InChIKey is MUWBLAQPCGNIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O6SSi3/c1-25(2,3)21-16(22-26(4,5)6)24-14-8-10-19-11-12-20-15-9-7-13-23(15,17)18/h15-16H,7-14H2,1-6H3.
What are the key properties of CID 137241968?
CID 137241968 has a molecular weight of 440.78 g/mol, XLogP of 3.05, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137241968 is sourced from PubChem (CID 137241968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).