CID 136734845

C12H10O12Si8 — CID 136734845

IUPAC—
SMILESc1ccc([Si]23O[Si]4O[Si]5O[Si]6O[Si](O4)O[Si](c4ccccc4)(O[Si](O6)O[Si](O5)O2)O3)cc1
InChIInChI=1S/C12H10O12Si8/c1-3-7-11(8-4-1)31-20-27-14-25-13-26-16-29(18-27)22-32(24-31,12-9-5-2-6-10-12)23-30(17-26)19-28(15-25)21-31/h1-10H
InChIKeyARWREFDWOWCQAF-UHFFFAOYSA-N
MW570.89 g/mol
LogP-2.14
Rot. Bonds2

About CID 136734845

CID 136734845 (PubChem CID 136734845) has the molecular formula C12H10O12Si8 and a molecular weight of 570.89 g/mol.

Molecular Properties

Compound NameCID 136734845
PubChem CID136734845
Molecular FormulaC12H10O12Si8
Molecular Weight570.89 g/mol
Exact Mass569.83
IUPAC Name—
SMILESc1ccc([Si]23O[Si]4O[Si]5O[Si]6O[Si](O4)O[Si](c4ccccc4)(O[Si](O6)O[Si](O5)O2)O3)cc1
InChIInChI=1S/C12H10O12Si8/c1-3-7-11(8-4-1)31-20-27-14-25-13-26-16-29(18-27)22-32(24-31,12-9-5-2-6-10-12)23-30(17-26)19-28(15-25)21-31/h1-10H
InChIKeyARWREFDWOWCQAF-UHFFFAOYSA-N
XLogP-2.14
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.89
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze CID 136734845 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5,7,9,11,13,15-heptakis-phenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)aniline
CID 140674964
2,2,4,4-tetraphenyl-1,3,2,4-dioxadisiletane
CID 15436049
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820
1,3,7,9-tetraphenyl-5,5,11,11-tetrakis(prop-2-enyl)-2,4,6,8,10,12,13,14-octaoxa-1,3,5,7,9,11-hexasilatricyclo[7.3.1.13,7]tetradecane
CID 177446580
CID 166026193
CID 166026193
CID 23265003
CID 23265003
9,19-dihydroxy-9,19-bis(2-methylpropyl)-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosane
CID 101468716
methyl-[[11,14,17-tris(methylsilyloxy)-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane
CID 123303452
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
2,4,6,8-tetrafluoro-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 122208688
1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane
CID 13219764
2,2,4,4,6,6,7,7-octakis-phenyl-1,3,5,2,4,6,7-trioxatetrasilepane
CID 5147975

Frequently Asked Questions

What is the IUPAC name of CID 136734845?
The IUPAC name of CID 136734845 (CID 136734845) is not available.
What is the SMILES notation for CID 136734845?
The canonical SMILES for CID 136734845 is c1ccc([Si]23O[Si]4O[Si]5O[Si]6O[Si](O4)O[Si](c4ccccc4)(O[Si](O6)O[Si](O5)O2)O3)cc1.
What is the InChIKey of CID 136734845?
The InChIKey is ARWREFDWOWCQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O12Si8/c1-3-7-11(8-4-1)31-20-27-14-25-13-26-16-29(18-27)22-32(24-31,12-9-5-2-6-10-12)23-30(17-26)19-28(15-25)21-31/h1-10H.
What are the key properties of CID 136734845?
CID 136734845 has a molecular weight of 570.89 g/mol, XLogP of -2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136734845 is sourced from PubChem (CID 136734845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).