tributoxy-(3-iodo-5-methylphenyl)silane

C19H33IO3Si — CID 153491491

IUPACtributoxy-(3-iodo-5-methylphenyl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)c1cc(C)cc(I)c1
InChIInChI=1S/C19H33IO3Si/c1-5-8-11-21-24(22-12-9-6-2,23-13-10-7-3)19-15-17(4)14-18(20)16-19/h14-16H,5-13H2,1-4H3
InChIKeyCUWREAQXUVENSI-UHFFFAOYSA-N
MW464.46 g/mol
LogP5.20
Rot. Bonds13

About tributoxy-(3-iodo-5-methylphenyl)silane

tributoxy-(3-iodo-5-methylphenyl)silane (PubChem CID 153491491) has the molecular formula C19H33IO3Si and a molecular weight of 464.46 g/mol. Its IUPAC name is tributoxy-(3-iodo-5-methylphenyl)silane.

Molecular Properties

Compound Nametributoxy-(3-iodo-5-methylphenyl)silane
PubChem CID153491491
Molecular FormulaC19H33IO3Si
Molecular Weight464.46 g/mol
Exact Mass464.12
IUPAC Nametributoxy-(3-iodo-5-methylphenyl)silane
SMILESCCCCO[Si](OCCCC)(OCCCC)c1cc(C)cc(I)c1
InChIInChI=1S/C19H33IO3Si/c1-5-8-11-21-24(22-12-9-6-2,23-13-10-7-3)19-15-17(4)14-18(20)16-19/h14-16H,5-13H2,1-4H3
InChIKeyCUWREAQXUVENSI-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-(4-iodo-3-methylphenyl)silane
CID 153491523
tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
CID 87873326
tributoxy-(2,3,4-triiodophenyl)silane
CID 153491475
tributoxy-(4-ethenylphenyl)silane
CID 141272321
1-iodo-3-methyl-5-propylbenzene
CID 118269198
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
butoxy-iodo-dimethylsilane
CID 88777497
1-butoxybutane;propan-2-ol;1,3,5-trimethylbenzene
CID 67628315
2-butoxy-5-iodo-3-methylbenzaldehyde
CID 100581502
trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
CID 86092710

Frequently Asked Questions

What is the IUPAC name of tributoxy-(3-iodo-5-methylphenyl)silane?
The IUPAC name of tributoxy-(3-iodo-5-methylphenyl)silane (CID 153491491) is tributoxy-(3-iodo-5-methylphenyl)silane.
What is the SMILES notation for tributoxy-(3-iodo-5-methylphenyl)silane?
The canonical SMILES for tributoxy-(3-iodo-5-methylphenyl)silane is CCCCO[Si](OCCCC)(OCCCC)c1cc(C)cc(I)c1.
What is the InChIKey of tributoxy-(3-iodo-5-methylphenyl)silane?
The InChIKey is CUWREAQXUVENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33IO3Si/c1-5-8-11-21-24(22-12-9-6-2,23-13-10-7-3)19-15-17(4)14-18(20)16-19/h14-16H,5-13H2,1-4H3.
What are the key properties of tributoxy-(3-iodo-5-methylphenyl)silane?
tributoxy-(3-iodo-5-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-(3-iodo-5-methylphenyl)silane is sourced from PubChem (CID 153491491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).