CID 18350411

C25H33O4Si2 — CID 18350411

IUPAC—
SMILESCO[Si](Cc1ccccc1)OC.CO[Si](OC)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H20O2Si.C9H13O2Si/c1-13-5-9-15(10-6-13)19(17-3,18-4)16-11-7-14(2)8-12-16;1-10-12(11-2)8-9-6-4-3-5-7-9/h5-12H,1-4H3;3-7H,8H2,1-2H3
InChIKeyPWQMHBCIYLTMPH-UHFFFAOYSA-N
MW453.71 g/mol
LogP3.70
Rot. Bonds8

About CID 18350411

CID 18350411 (PubChem CID 18350411) has the molecular formula C25H33O4Si2 and a molecular weight of 453.71 g/mol.

Molecular Properties

Compound NameCID 18350411
PubChem CID18350411
Molecular FormulaC25H33O4Si2
Molecular Weight453.71 g/mol
Exact Mass453.19
IUPAC Name—
SMILESCO[Si](Cc1ccccc1)OC.CO[Si](OC)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H20O2Si.C9H13O2Si/c1-13-5-9-15(10-6-13)19(17-3,18-4)16-11-7-14(2)8-12-16;1-10-12(11-2)8-9-6-4-3-5-7-9/h5-12H,1-4H3;3-7H,8H2,1-2H3
InChIKeyPWQMHBCIYLTMPH-UHFFFAOYSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.71
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18350411?
The IUPAC name of CID 18350411 (CID 18350411) is not available.
What is the SMILES notation for CID 18350411?
The canonical SMILES for CID 18350411 is CO[Si](Cc1ccccc1)OC.CO[Si](OC)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of CID 18350411?
The InChIKey is PWQMHBCIYLTMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2Si.C9H13O2Si/c1-13-5-9-15(10-6-13)19(17-3,18-4)16-11-7-14(2)8-12-16;1-10-12(11-2)8-9-6-4-3-5-7-9/h5-12H,1-4H3;3-7H,8H2,1-2H3.
What are the key properties of CID 18350411?
CID 18350411 has a molecular weight of 453.71 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18350411 is sourced from PubChem (CID 18350411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).