trimethyl-[4-(oxan-2-yloxy)butoxy]silane

C12H26O3Si — CID 11218840

IUPACtrimethyl-[4-(oxan-2-yloxy)butoxy]silane
SMILESC[Si](C)(C)OCCCCOC1CCCCO1
InChIInChI=1S/C12H26O3Si/c1-16(2,3)15-11-7-6-10-14-12-8-4-5-9-13-12/h12H,4-11H2,1-3H3
InChIKeyLSEDVGACZVFVIF-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.16
Rot. Bonds7

About trimethyl-[4-(oxan-2-yloxy)butoxy]silane

trimethyl-[4-(oxan-2-yloxy)butoxy]silane (PubChem CID 11218840) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is trimethyl-[4-(oxan-2-yloxy)butoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-(oxan-2-yloxy)butoxy]silane
PubChem CID11218840
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nametrimethyl-[4-(oxan-2-yloxy)butoxy]silane
SMILESC[Si](C)(C)OCCCCOC1CCCCO1
InChIInChI=1S/C12H26O3Si/c1-16(2,3)15-11-7-6-10-14-12-8-4-5-9-13-12/h12H,4-11H2,1-3H3
InChIKeyLSEDVGACZVFVIF-UHFFFAOYSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.16
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'}

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Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-octacosoxyoxane
CID 11214102
2-(4,4-dimethylpentoxy)oxane
CID 59628221
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592
2-ethoxyoxane;ethoxy(trimethyl)silane;methane
CID 159715846
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
2-(6-methylheptoxy)oxane
CID 139685112
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(oxan-2-yloxy)butoxy]silane?
The IUPAC name of trimethyl-[4-(oxan-2-yloxy)butoxy]silane (CID 11218840) is trimethyl-[4-(oxan-2-yloxy)butoxy]silane.
What is the SMILES notation for trimethyl-[4-(oxan-2-yloxy)butoxy]silane?
The canonical SMILES for trimethyl-[4-(oxan-2-yloxy)butoxy]silane is C[Si](C)(C)OCCCCOC1CCCCO1.
What is the InChIKey of trimethyl-[4-(oxan-2-yloxy)butoxy]silane?
The InChIKey is LSEDVGACZVFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-16(2,3)15-11-7-6-10-14-12-8-4-5-9-13-12/h12H,4-11H2,1-3H3.
What are the key properties of trimethyl-[4-(oxan-2-yloxy)butoxy]silane?
trimethyl-[4-(oxan-2-yloxy)butoxy]silane has a molecular weight of 246.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(oxan-2-yloxy)butoxy]silane is sourced from PubChem (CID 11218840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).