dibutyl-(iodomethyl)-propoxysilane

C12H27IOSi — CID 23146625

IUPACdibutyl-(iodomethyl)-propoxysilane
SMILESCCCC[Si](CI)(CCCC)OCCC
InChIInChI=1S/C12H27IOSi/c1-4-7-10-15(12-13,11-8-5-2)14-9-6-3/h4-12H2,1-3H3
InChIKeyNJHBZQNPTRGQRV-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.93
Rot. Bonds10

About dibutyl-(iodomethyl)-propoxysilane

dibutyl-(iodomethyl)-propoxysilane (PubChem CID 23146625) has the molecular formula C12H27IOSi and a molecular weight of 342.34 g/mol. Its IUPAC name is dibutyl-(iodomethyl)-propoxysilane.

Molecular Properties

Compound Namedibutyl-(iodomethyl)-propoxysilane
PubChem CID23146625
Molecular FormulaC12H27IOSi
Molecular Weight342.34 g/mol
Exact Mass342.09
IUPAC Namedibutyl-(iodomethyl)-propoxysilane
SMILESCCCC[Si](CI)(CCCC)OCCC
InChIInChI=1S/C12H27IOSi/c1-4-7-10-15(12-13,11-8-5-2)14-9-6-3/h4-12H2,1-3H3
InChIKeyNJHBZQNPTRGQRV-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187
trihexadecyl(propoxy)silane
CID 172579393
butoxy(tributyl)silane
CID 594608
tributyl(decoxy)silane
CID 523467
butoxy-dibutyl-ethylsilane
CID 141095554
butoxy-[3-[butoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87143618
3-bromopropyl-diethyl-propoxysilane
CID 86116023
tributyl(8-tributylsilyloxyoct-4-ynoxy)silane
CID 135048691
iodomethyl-methyl-dipropoxysilane
CID 23146719
butyl-methoxy-dipropoxysilane
CID 18672915
2-[dibutyl(ethyl)silyl]oxy-N,N-dimethylethanamine
CID 101424990
tributoxy(3-iodopropyl)silane
CID 141455003

Frequently Asked Questions

What is the IUPAC name of dibutyl-(iodomethyl)-propoxysilane?
The IUPAC name of dibutyl-(iodomethyl)-propoxysilane (CID 23146625) is dibutyl-(iodomethyl)-propoxysilane.
What is the SMILES notation for dibutyl-(iodomethyl)-propoxysilane?
The canonical SMILES for dibutyl-(iodomethyl)-propoxysilane is CCCC[Si](CI)(CCCC)OCCC.
What is the InChIKey of dibutyl-(iodomethyl)-propoxysilane?
The InChIKey is NJHBZQNPTRGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27IOSi/c1-4-7-10-15(12-13,11-8-5-2)14-9-6-3/h4-12H2,1-3H3.
What are the key properties of dibutyl-(iodomethyl)-propoxysilane?
dibutyl-(iodomethyl)-propoxysilane has a molecular weight of 342.34 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(iodomethyl)-propoxysilane is sourced from PubChem (CID 23146625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).