CID 155659012

C22H45O4Si2 — CID 155659012

IUPAC—
SMILESCCO[Si](OCC)C(C)(CC)C(=O)O[Si](CC(C)C)(CC(C)C)C1CCCC1
InChIInChI=1S/C22H45O4Si2/c1-9-22(8,27(24-10-2)25-11-3)21(23)26-28(16-18(4)5,17-19(6)7)20-14-12-13-15-20/h18-20H,9-17H2,1-8H3
InChIKeyDYZGCWXQNFMKOE-UHFFFAOYSA-N
MW429.77 g/mol
LogP6.46
Rot. Bonds13

About CID 155659012

CID 155659012 (PubChem CID 155659012) has the molecular formula C22H45O4Si2 and a molecular weight of 429.77 g/mol.

Molecular Properties

Compound NameCID 155659012
PubChem CID155659012
Molecular FormulaC22H45O4Si2
Molecular Weight429.77 g/mol
Exact Mass429.29
IUPAC Name—
SMILESCCO[Si](OCC)C(C)(CC)C(=O)O[Si](CC(C)C)(CC(C)C)C1CCCC1
InChIInChI=1S/C22H45O4Si2/c1-9-22(8,27(24-10-2)25-11-3)21(23)26-28(16-18(4)5,17-19(6)7)20-14-12-13-15-20/h18-20H,9-17H2,1-8H3
InChIKeyDYZGCWXQNFMKOE-UHFFFAOYSA-N
XLogP6.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.77
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 155659012 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 155659012?
The IUPAC name of CID 155659012 (CID 155659012) is not available.
What is the SMILES notation for CID 155659012?
The canonical SMILES for CID 155659012 is CCO[Si](OCC)C(C)(CC)C(=O)O[Si](CC(C)C)(CC(C)C)C1CCCC1.
What is the InChIKey of CID 155659012?
The InChIKey is DYZGCWXQNFMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45O4Si2/c1-9-22(8,27(24-10-2)25-11-3)21(23)26-28(16-18(4)5,17-19(6)7)20-14-12-13-15-20/h18-20H,9-17H2,1-8H3.
What are the key properties of CID 155659012?
CID 155659012 has a molecular weight of 429.77 g/mol, XLogP of 6.46, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155659012 is sourced from PubChem (CID 155659012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).