CID 70182504

C26H27O4Si — CID 70182504

IUPAC—
SMILESCC1(C)OC(=O)c2c(ccc(O[Si](c3ccccc3)c3ccccc3)c2C(C)(C)C)O1
InChIInChI=1S/C26H27O4Si/c1-25(2,3)23-21(17-16-20-22(23)24(27)29-26(4,5)28-20)30-31(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17H,1-5H3
InChIKeyIIZJSMDVPPUZBR-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.45
Rot. Bonds4

About CID 70182504

CID 70182504 (PubChem CID 70182504) has the molecular formula C26H27O4Si and a molecular weight of 431.58 g/mol.

Molecular Properties

Compound NameCID 70182504
PubChem CID70182504
Molecular FormulaC26H27O4Si
Molecular Weight431.58 g/mol
Exact Mass431.17
IUPAC Name—
SMILESCC1(C)OC(=O)c2c(ccc(O[Si](c3ccccc3)c3ccccc3)c2C(C)(C)C)O1
InChIInChI=1S/C26H27O4Si/c1-25(2,3)23-21(17-16-20-22(23)24(27)29-26(4,5)28-20)30-31(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17H,1-5H3
InChIKeyIIZJSMDVPPUZBR-UHFFFAOYSA-N
XLogP4.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 70182504 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 70182504?
The IUPAC name of CID 70182504 (CID 70182504) is not available.
What is the SMILES notation for CID 70182504?
The canonical SMILES for CID 70182504 is CC1(C)OC(=O)c2c(ccc(O[Si](c3ccccc3)c3ccccc3)c2C(C)(C)C)O1.
What is the InChIKey of CID 70182504?
The InChIKey is IIZJSMDVPPUZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27O4Si/c1-25(2,3)23-21(17-16-20-22(23)24(27)29-26(4,5)28-20)30-31(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17H,1-5H3.
What are the key properties of CID 70182504?
CID 70182504 has a molecular weight of 431.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70182504 is sourced from PubChem (CID 70182504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).