CID 68587382

C40H52O5Si2 — CID 68587382

IUPAC—
SMILESCCOc1ccc([Si](O[Si](c2ccc(OCC)c(CC)c2)c2ccc(OCC)c(CC)c2)c2ccc(OCC)c(CC)c2)cc1CC
InChIInChI=1S/C40H52O5Si2/c1-9-29-25-33(17-21-37(29)41-13-5)46(34-18-22-38(42-14-6)30(10-2)26-34)45-47(35-19-23-39(43-15-7)31(11-3)27-35)36-20-24-40(44-16-8)32(12-4)28-36/h17-28H,9-16H2,1-8H3
InChIKeyRQYKLCBBPATKIG-UHFFFAOYSA-N
MW669.02 g/mol
LogP6.46
Rot. Bonds18

About CID 68587382

CID 68587382 (PubChem CID 68587382) has the molecular formula C40H52O5Si2 and a molecular weight of 669.02 g/mol.

Molecular Properties

Compound NameCID 68587382
PubChem CID68587382
Molecular FormulaC40H52O5Si2
Molecular Weight669.02 g/mol
Exact Mass668.34
IUPAC Name—
SMILESCCOc1ccc([Si](O[Si](c2ccc(OCC)c(CC)c2)c2ccc(OCC)c(CC)c2)c2ccc(OCC)c(CC)c2)cc1CC
InChIInChI=1S/C40H52O5Si2/c1-9-29-25-33(17-21-37(29)41-13-5)46(34-18-22-38(42-14-6)30(10-2)26-34)45-47(35-19-23-39(43-15-7)31(11-3)27-35)36-20-24-40(44-16-8)32(12-4)28-36/h17-28H,9-16H2,1-8H3
InChIKeyRQYKLCBBPATKIG-UHFFFAOYSA-N
XLogP6.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.02
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 68587382 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 68587382?
The IUPAC name of CID 68587382 (CID 68587382) is not available.
What is the SMILES notation for CID 68587382?
The canonical SMILES for CID 68587382 is CCOc1ccc([Si](O[Si](c2ccc(OCC)c(CC)c2)c2ccc(OCC)c(CC)c2)c2ccc(OCC)c(CC)c2)cc1CC.
What is the InChIKey of CID 68587382?
The InChIKey is RQYKLCBBPATKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52O5Si2/c1-9-29-25-33(17-21-37(29)41-13-5)46(34-18-22-38(42-14-6)30(10-2)26-34)45-47(35-19-23-39(43-15-7)31(11-3)27-35)36-20-24-40(44-16-8)32(12-4)28-36/h17-28H,9-16H2,1-8H3.
What are the key properties of CID 68587382?
CID 68587382 has a molecular weight of 669.02 g/mol, XLogP of 6.46, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68587382 is sourced from PubChem (CID 68587382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).