CID 59503331

C24H36IO2SSi2- — CID 59503331

IUPAC—
SMILESCC[Si](CC)(CC)Oc1ccc2c(c1)Sc1cc(O[Si](CC)(CC)CC)ccc1[I-]2
InChIInChI=1S/C24H36IO2SSi2/c1-7-29(8-2,9-3)26-19-13-15-21-23(17-19)28-24-18-20(14-16-22(24)25-21)27-30(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3/q-1
InChIKeyFULGHFZTNQBEID-UHFFFAOYSA-N
MW571.69 g/mol
LogP5.05
Rot. Bonds10

About CID 59503331

CID 59503331 (PubChem CID 59503331) has the molecular formula C24H36IO2SSi2- and a molecular weight of 571.69 g/mol.

Molecular Properties

Compound NameCID 59503331
PubChem CID59503331
Molecular FormulaC24H36IO2SSi2-
Molecular Weight571.69 g/mol
Exact Mass571.10
IUPAC Name—
SMILESCC[Si](CC)(CC)Oc1ccc2c(c1)Sc1cc(O[Si](CC)(CC)CC)ccc1[I-]2
InChIInChI=1S/C24H36IO2SSi2/c1-7-29(8-2,9-3)26-19-13-15-21-23(17-19)28-24-18-20(14-16-22(24)25-21)27-30(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3/q-1
InChIKeyFULGHFZTNQBEID-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.69
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3,5-bis(triethylsilyloxy)phenol
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triethyl-[3-(triethylsilyloxymethyl)phenoxy]silane
CID 12672326
(4-benzylphenoxy)-triethylsilane
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triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane
CID 68846778
[bis[4-(dimethylamino)phenyl]-(4-triethylsilyloxyphenyl)-λ4-sulfanyl]-methylsulfonyloxidanium
CID 56979635
bis(4-chlorophenoxy)-diethylsilane
CID 91742030
3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol
CID 165050985
2-[2-[(2,6-dimethylphenoxy)methyl]-4-triethylsilyloxyphenyl]-2-hydroxyacetonitrile
CID 87211646
(4-chlorophenoxy)-trihexylsilane
CID 532625
CID 87934535
CID 87934535

Frequently Asked Questions

What is the IUPAC name of CID 59503331?
The IUPAC name of CID 59503331 (CID 59503331) is not available.
What is the SMILES notation for CID 59503331?
The canonical SMILES for CID 59503331 is CC[Si](CC)(CC)Oc1ccc2c(c1)Sc1cc(O[Si](CC)(CC)CC)ccc1[I-]2.
What is the InChIKey of CID 59503331?
The InChIKey is FULGHFZTNQBEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36IO2SSi2/c1-7-29(8-2,9-3)26-19-13-15-21-23(17-19)28-24-18-20(14-16-22(24)25-21)27-30(10-4,11-5)12-6/h13-18H,7-12H2,1-6H3/q-1.
What are the key properties of CID 59503331?
CID 59503331 has a molecular weight of 571.69 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59503331 is sourced from PubChem (CID 59503331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).