butyl(1,2-dipropoxyethoxy)silane

C12H28O3Si — CID 123351057

IUPACbutyl(1,2-dipropoxyethoxy)silane
SMILESCCCC[SiH2]OC(COCCC)OCCC
InChIInChI=1S/C12H28O3Si/c1-4-7-10-16-15-12(14-9-6-3)11-13-8-5-2/h12H,4-11,16H2,1-3H3
InChIKeyCUUWRYIVSADIJJ-UHFFFAOYSA-N
MW248.44 g/mol
LogP2.48
Rot. Bonds12

About butyl(1,2-dipropoxyethoxy)silane

butyl(1,2-dipropoxyethoxy)silane (PubChem CID 123351057) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is butyl(1,2-dipropoxyethoxy)silane.

Molecular Properties

Compound Namebutyl(1,2-dipropoxyethoxy)silane
PubChem CID123351057
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Namebutyl(1,2-dipropoxyethoxy)silane
SMILESCCCC[SiH2]OC(COCCC)OCCC
InChIInChI=1S/C12H28O3Si/c1-4-7-10-16-15-12(14-9-6-3)11-13-8-5-2/h12H,4-11,16H2,1-3H3
InChIKeyCUUWRYIVSADIJJ-UHFFFAOYSA-N
XLogP2.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 52.48
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(1,2-dipropoxyethoxy)butoxysilane
CID 123260275
1,2-dimethoxyethoxy(undecyl)silane
CID 174052564
butyl(1,4-dimethoxybutoxy)silane
CID 175052836
2-(1,2-dibutoxyethoxy)ethanol
CID 57055160
(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane
CID 87742557
2-propoxy-1-(2-propoxyethoxy)hexane
CID 91395495
2-[2-(2-hydroxyethoxy)-2-[3-(oxiran-2-ylmethoxy)propylsilyloxy]ethoxy]ethanol
CID 123217357
butyl(2-ethoxyethoxy)silane
CID 174932495
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
dibutoxymethoxy(propyl)silane
CID 154155162
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
1-(2-propoxypropoxy)pentane
CID 22002926

Frequently Asked Questions

What is the IUPAC name of butyl(1,2-dipropoxyethoxy)silane?
The IUPAC name of butyl(1,2-dipropoxyethoxy)silane (CID 123351057) is butyl(1,2-dipropoxyethoxy)silane.
What is the SMILES notation for butyl(1,2-dipropoxyethoxy)silane?
The canonical SMILES for butyl(1,2-dipropoxyethoxy)silane is CCCC[SiH2]OC(COCCC)OCCC.
What is the InChIKey of butyl(1,2-dipropoxyethoxy)silane?
The InChIKey is CUUWRYIVSADIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-4-7-10-16-15-12(14-9-6-3)11-13-8-5-2/h12H,4-11,16H2,1-3H3.
What are the key properties of butyl(1,2-dipropoxyethoxy)silane?
butyl(1,2-dipropoxyethoxy)silane has a molecular weight of 248.44 g/mol, XLogP of 2.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(1,2-dipropoxyethoxy)silane is sourced from PubChem (CID 123351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).