2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane

C9H16O4 — CID 3081505

IUPAC2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane
SMILESC(COCC1CO1)COCC1CO1
InChIInChI=1S/C9H16O4/c1(2-10-4-8-6-12-8)3-11-5-9-7-13-9/h8-9H,1-7H2
InChIKeyVLKXLWGYPOUERV-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.21
Rot. Bonds8

About 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane

2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane (PubChem CID 3081505) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane
PubChem CID3081505
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane
SMILESC(COCC1CO1)COCC1CO1
InChIInChI=1S/C9H16O4/c1(2-10-4-8-6-12-8)3-11-5-9-7-13-9/h8-9H,1-7H2
InChIKeyVLKXLWGYPOUERV-UHFFFAOYSA-N
XLogP0.21
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane?
The IUPAC name of 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane (CID 3081505) is 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane?
The canonical SMILES for 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane is C(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane?
The InChIKey is VLKXLWGYPOUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1(2-10-4-8-6-12-8)3-11-5-9-7-13-9/h8-9H,1-7H2.
What are the key properties of 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane?
2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane has a molecular weight of 188.22 g/mol, XLogP of 0.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxiran-2-ylmethoxy)propoxymethyl]oxirane is sourced from PubChem (CID 3081505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).