3-(oxiran-2-ylmethoxy)propyl-propoxysilane

C9H20O3Si — CID 173042510

IUPAC3-(oxiran-2-ylmethoxy)propyl-propoxysilane
SMILESCCCO[SiH2]CCCOCC1CO1
InChIInChI=1S/C9H20O3Si/c1-2-4-12-13-6-3-5-10-7-9-8-11-9/h9H,2-8,13H2,1H3
InChIKeyADNVWZQWEOFNOC-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.72
Rot. Bonds9

About 3-(oxiran-2-ylmethoxy)propyl-propoxysilane

3-(oxiran-2-ylmethoxy)propyl-propoxysilane (PubChem CID 173042510) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxy)propyl-propoxysilane.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxy)propyl-propoxysilane
PubChem CID173042510
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name3-(oxiran-2-ylmethoxy)propyl-propoxysilane
SMILESCCCO[SiH2]CCCOCC1CO1
InChIInChI=1S/C9H20O3Si/c1-2-4-12-13-6-3-5-10-7-9-8-11-9/h9H,2-8,13H2,1H3
InChIKeyADNVWZQWEOFNOC-UHFFFAOYSA-N
XLogP0.72
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.72
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'}

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Related Compounds

3-(oxiran-2-ylmethoxy)propyl-pentan-2-yloxysilane
CID 175155019
methoxy-[3-[2-(oxiran-2-ylmethoxy)ethoxy]propyl]silane
CID 151041352
2-(propoxymethyl)oxirane
CID 18406
2-(pentoxymethyl)oxirane
CID 160890113
CID 166063430
CID 166063430
methoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
CID 173377892
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-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxy)propyl-propoxysilane?
The IUPAC name of 3-(oxiran-2-ylmethoxy)propyl-propoxysilane (CID 173042510) is 3-(oxiran-2-ylmethoxy)propyl-propoxysilane.
What is the SMILES notation for 3-(oxiran-2-ylmethoxy)propyl-propoxysilane?
The canonical SMILES for 3-(oxiran-2-ylmethoxy)propyl-propoxysilane is CCCO[SiH2]CCCOCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethoxy)propyl-propoxysilane?
The InChIKey is ADNVWZQWEOFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-2-4-12-13-6-3-5-10-7-9-8-11-9/h9H,2-8,13H2,1H3.
What are the key properties of 3-(oxiran-2-ylmethoxy)propyl-propoxysilane?
3-(oxiran-2-ylmethoxy)propyl-propoxysilane has a molecular weight of 204.34 g/mol, XLogP of 0.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxy)propyl-propoxysilane is sourced from PubChem (CID 173042510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).