CID 156903735

C21H47O3Si4 — CID 156903735

IUPAC—
SMILESCC[Si](CC)(CC)OC(C=C[Si])(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H47O3Si4/c1-10-26(11-2,12-3)22-21(19-20-25,23-27(13-4,14-5)15-6)24-28(16-7,17-8)18-9/h19-20H,10-18H2,1-9H3
InChIKeyBQWNAEWDZFWBPC-UHFFFAOYSA-N
MW459.95 g/mol
LogP7.39
Rot. Bonds16

About CID 156903735

CID 156903735 (PubChem CID 156903735) has the molecular formula C21H47O3Si4 and a molecular weight of 459.95 g/mol.

Molecular Properties

Compound NameCID 156903735
PubChem CID156903735
Molecular FormulaC21H47O3Si4
Molecular Weight459.95 g/mol
Exact Mass459.26
IUPAC Name—
SMILESCC[Si](CC)(CC)OC(C=C[Si])(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H47O3Si4/c1-10-26(11-2,12-3)22-21(19-20-25,23-27(13-4,14-5)15-6)24-28(16-7,17-8)18-9/h19-20H,10-18H2,1-9H3
InChIKeyBQWNAEWDZFWBPC-UHFFFAOYSA-N
XLogP7.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.95
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 156903735 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 156903735?
The IUPAC name of CID 156903735 (CID 156903735) is not available.
What is the SMILES notation for CID 156903735?
The canonical SMILES for CID 156903735 is CC[Si](CC)(CC)OC(C=C[Si])(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of CID 156903735?
The InChIKey is BQWNAEWDZFWBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47O3Si4/c1-10-26(11-2,12-3)22-21(19-20-25,23-27(13-4,14-5)15-6)24-28(16-7,17-8)18-9/h19-20H,10-18H2,1-9H3.
What are the key properties of CID 156903735?
CID 156903735 has a molecular weight of 459.95 g/mol, XLogP of 7.39, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156903735 is sourced from PubChem (CID 156903735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).