tributoxy-(2,3,4-triiodophenyl)silane

C18H29I3O3Si — CID 153491475

IUPACtributoxy-(2,3,4-triiodophenyl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(I)c1I
InChIInChI=1S/C18H29I3O3Si/c1-4-7-12-22-25(23-13-8-5-2,24-14-9-6-3)16-11-10-15(19)17(20)18(16)21/h10-11H,4-9,12-14H2,1-3H3
InChIKeyQMNHNNVLCAEBOQ-UHFFFAOYSA-N
MW702.22 g/mol
LogP6.10
Rot. Bonds13

About tributoxy-(2,3,4-triiodophenyl)silane

tributoxy-(2,3,4-triiodophenyl)silane (PubChem CID 153491475) has the molecular formula C18H29I3O3Si and a molecular weight of 702.22 g/mol. Its IUPAC name is tributoxy-(2,3,4-triiodophenyl)silane.

Molecular Properties

Compound Nametributoxy-(2,3,4-triiodophenyl)silane
PubChem CID153491475
Molecular FormulaC18H29I3O3Si
Molecular Weight702.22 g/mol
Exact Mass701.90
IUPAC Nametributoxy-(2,3,4-triiodophenyl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(I)c1I
InChIInChI=1S/C18H29I3O3Si/c1-4-7-12-22-25(23-13-8-5-2,24-14-9-6-3)16-11-10-15(19)17(20)18(16)21/h10-11H,4-9,12-14H2,1-3H3
InChIKeyQMNHNNVLCAEBOQ-UHFFFAOYSA-N
XLogP6.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.22
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2,3-diiodophenyl)-tripropoxysilane
CID 153491478
tributoxy-(4-iodo-3-methylphenyl)silane
CID 153491523
tributoxy-(3-iodo-5-methylphenyl)silane
CID 153491491
2,3,4-triiodo-N-pentylaniline
CID 173038518
tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
CID 87873326
1,2,3,4-tetraiodobenzene
CID 12465
tributoxy-(4-ethenylphenyl)silane
CID 141272321
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
2,3-dihexoxy-1,4-diiodobenzene
CID 24814249
2-(4-butoxyphenyl)pyrazine
CID 11345209
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
butoxy-iodo-dimethylsilane
CID 88777497

Frequently Asked Questions

What is the IUPAC name of tributoxy-(2,3,4-triiodophenyl)silane?
The IUPAC name of tributoxy-(2,3,4-triiodophenyl)silane (CID 153491475) is tributoxy-(2,3,4-triiodophenyl)silane.
What is the SMILES notation for tributoxy-(2,3,4-triiodophenyl)silane?
The canonical SMILES for tributoxy-(2,3,4-triiodophenyl)silane is CCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(I)c1I.
What is the InChIKey of tributoxy-(2,3,4-triiodophenyl)silane?
The InChIKey is QMNHNNVLCAEBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29I3O3Si/c1-4-7-12-22-25(23-13-8-5-2,24-14-9-6-3)16-11-10-15(19)17(20)18(16)21/h10-11H,4-9,12-14H2,1-3H3.
What are the key properties of tributoxy-(2,3,4-triiodophenyl)silane?
tributoxy-(2,3,4-triiodophenyl)silane has a molecular weight of 702.22 g/mol, XLogP of 6.10, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy-(2,3,4-triiodophenyl)silane is sourced from PubChem (CID 153491475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).