tributoxy(3-iodopropyl)silane

C15H33IO3Si — CID 141455003

IUPACtributoxy(3-iodopropyl)silane
SMILESCCCCO[Si](CCCI)(OCCCC)OCCCC
InChIInChI=1S/C15H33IO3Si/c1-4-7-12-17-20(15-10-11-16,18-13-8-5-2)19-14-9-6-3/h4-15H2,1-3H3
InChIKeyCSNTVDFKHMPOBB-UHFFFAOYSA-N
MW416.42 g/mol
LogP5.20
Rot. Bonds15

About tributoxy(3-iodopropyl)silane

tributoxy(3-iodopropyl)silane (PubChem CID 141455003) has the molecular formula C15H33IO3Si and a molecular weight of 416.42 g/mol. Its IUPAC name is tributoxy(3-iodopropyl)silane.

Molecular Properties

Compound Nametributoxy(3-iodopropyl)silane
PubChem CID141455003
Molecular FormulaC15H33IO3Si
Molecular Weight416.42 g/mol
Exact Mass416.12
IUPAC Nametributoxy(3-iodopropyl)silane
SMILESCCCCO[Si](CCCI)(OCCCC)OCCCC
InChIInChI=1S/C15H33IO3Si/c1-4-7-12-17-20(15-10-11-16,18-13-8-5-2)19-14-9-6-3/h4-15H2,1-3H3
InChIKeyCSNTVDFKHMPOBB-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.42
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
N-methyl-3-tributoxysilylpropan-1-amine
CID 87391631
tributoxy(4-chlorobutyl)silane
CID 141455005
butoxy-butyl-dimethoxysilane
CID 139714527
ethyl(tripropoxy)silane;tributoxy(ethyl)silane
CID 160706387
tributoxy(pent-4-enyl)silane
CID 87220706
isocyanic acid;tributoxy(pentyl)silane
CID 172778190
3-trihexadecoxysilylpropan-1-amine
CID 87405617
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
triethoxy(31-iodohentriacontyl)silane
CID 87683557
triethoxy(14-iodotetradecyl)silane
CID 87686143

Frequently Asked Questions

What is the IUPAC name of tributoxy(3-iodopropyl)silane?
The IUPAC name of tributoxy(3-iodopropyl)silane (CID 141455003) is tributoxy(3-iodopropyl)silane.
What is the SMILES notation for tributoxy(3-iodopropyl)silane?
The canonical SMILES for tributoxy(3-iodopropyl)silane is CCCCO[Si](CCCI)(OCCCC)OCCCC.
What is the InChIKey of tributoxy(3-iodopropyl)silane?
The InChIKey is CSNTVDFKHMPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33IO3Si/c1-4-7-12-17-20(15-10-11-16,18-13-8-5-2)19-14-9-6-3/h4-15H2,1-3H3.
What are the key properties of tributoxy(3-iodopropyl)silane?
tributoxy(3-iodopropyl)silane has a molecular weight of 416.42 g/mol, XLogP of 5.20, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy(3-iodopropyl)silane is sourced from PubChem (CID 141455003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).