2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane

C11H22O3Si — CID 88598177

IUPAC2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane
SMILESCCCC[Si]1(OCC2CO2)CCCCO1
InChIInChI=1S/C11H22O3Si/c1-2-3-7-15(8-5-4-6-13-15)14-10-11-9-12-11/h11H,2-10H2,1H3
InChIKeyATGPJQIZKKUUQN-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.45
Rot. Bonds6

About 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane

2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane (PubChem CID 88598177) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane.

Molecular Properties

Compound Name2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane
PubChem CID88598177
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane
SMILESCCCC[Si]1(OCC2CO2)CCCCO1
InChIInChI=1S/C11H22O3Si/c1-2-3-7-15(8-5-4-6-13-15)14-10-11-9-12-11/h11H,2-10H2,1H3
InChIKeyATGPJQIZKKUUQN-UHFFFAOYSA-N
XLogP2.45
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate
CID 70421368
2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane
CID 157053084
2-(pentoxymethyl)oxirane
CID 160890113
2-(butoxymethyl)oxirane;oxonane
CID 20569142
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-methyl-2-propoxyoxasilinane
CID 70135100
2-(octylperoxymethyl)oxirane
CID 174601201

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane?
The IUPAC name of 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane (CID 88598177) is 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane.
What is the SMILES notation for 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane?
The canonical SMILES for 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane is CCCC[Si]1(OCC2CO2)CCCCO1.
What is the InChIKey of 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane?
The InChIKey is ATGPJQIZKKUUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-2-3-7-15(8-5-4-6-13-15)14-10-11-9-12-11/h11H,2-10H2,1H3.
What are the key properties of 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane?
2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane has a molecular weight of 230.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(oxiran-2-ylmethoxy)oxasilinane is sourced from PubChem (CID 88598177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).