CID 22605044

C12H22O3Si — CID 22605044

IUPAC—
SMILESC=C(C)COC(CC)COC1CCC[Si]O1
InChIInChI=1S/C12H22O3Si/c1-4-11(13-8-10(2)3)9-14-12-6-5-7-16-15-12/h11-12H,2,4-9H2,1,3H3
InChIKeyAZVLKQIJNSVJSH-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.55
Rot. Bonds7

About CID 22605044

CID 22605044 (PubChem CID 22605044) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol.

Molecular Properties

Compound NameCID 22605044
PubChem CID22605044
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name—
SMILESC=C(C)COC(CC)COC1CCC[Si]O1
InChIInChI=1S/C12H22O3Si/c1-4-11(13-8-10(2)3)9-14-12-6-5-7-16-15-12/h11-12H,2,4-9H2,1,3H3
InChIKeyAZVLKQIJNSVJSH-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.55
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 22605044 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 22605044?
The IUPAC name of CID 22605044 (CID 22605044) is not available.
What is the SMILES notation for CID 22605044?
The canonical SMILES for CID 22605044 is C=C(C)COC(CC)COC1CCC[Si]O1.
What is the InChIKey of CID 22605044?
The InChIKey is AZVLKQIJNSVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-4-11(13-8-10(2)3)9-14-12-6-5-7-16-15-12/h11-12H,2,4-9H2,1,3H3.
What are the key properties of CID 22605044?
CID 22605044 has a molecular weight of 242.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22605044 is sourced from PubChem (CID 22605044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).