2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane

C11H22O5Si — CID 170682253

IUPAC2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane
SMILESCC1CC(C)O[Si](O)(CCCOCC2CO2)O1
InChIInChI=1S/C11H22O5Si/c1-9-6-10(2)16-17(12,15-9)5-3-4-13-7-11-8-14-11/h9-12H,3-8H2,1-2H3
InChIKeyQTULIHDOFNLFGD-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.94
Rot. Bonds6

About 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane

2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane (PubChem CID 170682253) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane
PubChem CID170682253
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Name2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane
SMILESCC1CC(C)O[Si](O)(CCCOCC2CO2)O1
InChIInChI=1S/C11H22O5Si/c1-9-6-10(2)16-17(12,15-9)5-3-4-13-7-11-8-14-11/h9-12H,3-8H2,1-2H3
InChIKeyQTULIHDOFNLFGD-UHFFFAOYSA-N
XLogP0.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 140764013
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-(pentoxymethyl)oxirane
CID 160890113
CID 166063430
CID 166063430
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane?
The IUPAC name of 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane (CID 170682253) is 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane.
What is the SMILES notation for 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane?
The canonical SMILES for 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane is CC1CC(C)O[Si](O)(CCCOCC2CO2)O1.
What is the InChIKey of 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane?
The InChIKey is QTULIHDOFNLFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-9-6-10(2)16-17(12,15-9)5-3-4-13-7-11-8-14-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane?
2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane has a molecular weight of 262.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,6-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2-dioxasilinane is sourced from PubChem (CID 170682253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).