tributoxy-(4-iodo-3-methylphenyl)silane

C19H33IO3Si — CID 153491523

IUPACtributoxy-(4-iodo-3-methylphenyl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(C)c1
InChIInChI=1S/C19H33IO3Si/c1-5-8-13-21-24(22-14-9-6-2,23-15-10-7-3)18-11-12-19(20)17(4)16-18/h11-12,16H,5-10,13-15H2,1-4H3
InChIKeyLTIWRASYFKRLIY-UHFFFAOYSA-N
MW464.46 g/mol
LogP5.20
Rot. Bonds13

About tributoxy-(4-iodo-3-methylphenyl)silane

tributoxy-(4-iodo-3-methylphenyl)silane (PubChem CID 153491523) has the molecular formula C19H33IO3Si and a molecular weight of 464.46 g/mol. Its IUPAC name is tributoxy-(4-iodo-3-methylphenyl)silane.

Molecular Properties

Compound Nametributoxy-(4-iodo-3-methylphenyl)silane
PubChem CID153491523
Molecular FormulaC19H33IO3Si
Molecular Weight464.46 g/mol
Exact Mass464.12
IUPAC Nametributoxy-(4-iodo-3-methylphenyl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(C)c1
InChIInChI=1S/C19H33IO3Si/c1-5-8-13-21-24(22-14-9-6-2,23-15-10-7-3)18-11-12-19(20)17(4)16-18/h11-12,16H,5-10,13-15H2,1-4H3
InChIKeyLTIWRASYFKRLIY-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributoxy-(3-iodo-5-methylphenyl)silane
CID 153491491
tributoxy-(2,3,4-triiodophenyl)silane
CID 153491475
tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
CID 87873326
tributoxy-(4-ethenylphenyl)silane
CID 141272321
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane
CID 66774397
4-tripropoxysilylphenol
CID 141199988
(4Z)-4-[(2-butoxyphenyl)methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671930
trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
CID 86092710
1-decoxy-2,5-diiodo-4-methylbenzene
CID 70847415
(4-bromophenyl)-butoxy-diethylsilane
CID 140744022

Frequently Asked Questions

What is the IUPAC name of tributoxy-(4-iodo-3-methylphenyl)silane?
The IUPAC name of tributoxy-(4-iodo-3-methylphenyl)silane (CID 153491523) is tributoxy-(4-iodo-3-methylphenyl)silane.
What is the SMILES notation for tributoxy-(4-iodo-3-methylphenyl)silane?
The canonical SMILES for tributoxy-(4-iodo-3-methylphenyl)silane is CCCCO[Si](OCCCC)(OCCCC)c1ccc(I)c(C)c1.
What is the InChIKey of tributoxy-(4-iodo-3-methylphenyl)silane?
The InChIKey is LTIWRASYFKRLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33IO3Si/c1-5-8-13-21-24(22-14-9-6-2,23-15-10-7-3)18-11-12-19(20)17(4)16-18/h11-12,16H,5-10,13-15H2,1-4H3.
What are the key properties of tributoxy-(4-iodo-3-methylphenyl)silane?
tributoxy-(4-iodo-3-methylphenyl)silane has a molecular weight of 464.46 g/mol, XLogP of 5.20, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy-(4-iodo-3-methylphenyl)silane is sourced from PubChem (CID 153491523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).