butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane

C12H24O4Si — CID 173463769

IUPACbutoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane
SMILESCCCCO[SiH2]C1OCCCC1OCC1CO1
InChIInChI=1S/C12H24O4Si/c1-2-3-7-16-17-12-11(5-4-6-13-12)15-9-10-8-14-10/h10-12H,2-9,17H2,1H3
InChIKeyJIHCEKBKXUMRHX-UHFFFAOYSA-N
MW260.41 g/mol
LogP0.81
Rot. Bonds8

About butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane

butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane (PubChem CID 173463769) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane.

Molecular Properties

Compound Namebutoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane
PubChem CID173463769
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namebutoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane
SMILESCCCCO[SiH2]C1OCCCC1OCC1CO1
InChIInChI=1S/C12H24O4Si/c1-2-3-7-16-17-12-11(5-4-6-13-12)15-9-10-8-14-10/h10-12H,2-9,17H2,1H3
InChIKeyJIHCEKBKXUMRHX-UHFFFAOYSA-N
XLogP0.81
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
CID 166063430
CID 166063430
2-(butoxymethyl)oxirane;oxonane
CID 20569142
3-hexadecoxy-2-methyloxane
CID 67870408
2-(pentoxymethyl)oxirane
CID 160890113
2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
CID 161498038
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948

Frequently Asked Questions

What is the IUPAC name of butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane?
The IUPAC name of butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane (CID 173463769) is butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane.
What is the SMILES notation for butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane?
The canonical SMILES for butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane is CCCCO[SiH2]C1OCCCC1OCC1CO1.
What is the InChIKey of butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane?
The InChIKey is JIHCEKBKXUMRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-2-3-7-16-17-12-11(5-4-6-13-12)15-9-10-8-14-10/h10-12H,2-9,17H2,1H3.
What are the key properties of butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane?
butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane has a molecular weight of 260.41 g/mol, XLogP of 0.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane is sourced from PubChem (CID 173463769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).