[2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane

C12H24O3Si — CID 123966696

IUPAC[2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane
SMILES[SiH3]C1(CCCCOCC2CO2)CCCCO1
InChIInChI=1S/C12H24O3Si/c16-12(6-2-4-8-15-12)5-1-3-7-13-9-11-10-14-11/h11H,1-10H2,16H3
InChIKeyWSHXCQOCCWNOHX-UHFFFAOYSA-N
MW244.41 g/mol
LogP0.83
Rot. Bonds7

About [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane

[2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane (PubChem CID 123966696) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane.

Molecular Properties

Compound Name[2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane
PubChem CID123966696
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane
SMILES[SiH3]C1(CCCCOCC2CO2)CCCCO1
InChIInChI=1S/C12H24O3Si/c16-12(6-2-4-8-15-12)5-1-3-7-13-9-11-10-14-11/h11H,1-10H2,16H3
InChIKeyWSHXCQOCCWNOHX-UHFFFAOYSA-N
XLogP0.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 50.83
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[5-(oxiran-2-ylmethoxy)hexyl]oxan-2-yl]silane
CID 174783786
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-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
(2-hexyloxan-2-yl)silane
CID 123313847
[2-(3-bromopropyl)oxan-2-yl]silane
CID 175443786
2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane
CID 151765401
2-(butoxymethyl)oxirane;oxonane
CID 20569142
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-(octoxymethyl)oxan-2-yl]silane
CID 123215411
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543

Frequently Asked Questions

What is the IUPAC name of [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane?
The IUPAC name of [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane (CID 123966696) is [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane.
What is the SMILES notation for [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane?
The canonical SMILES for [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane is [SiH3]C1(CCCCOCC2CO2)CCCCO1.
What is the InChIKey of [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane?
The InChIKey is WSHXCQOCCWNOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c16-12(6-2-4-8-15-12)5-1-3-7-13-9-11-10-14-11/h11H,1-10H2,16H3.
What are the key properties of [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane?
[2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane has a molecular weight of 244.41 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(oxiran-2-ylmethoxy)butyl]oxan-2-yl]silane is sourced from PubChem (CID 123966696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).