2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene

C9H16O3 — CID 19873242

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
SMILESC(OCC1CO1)C1CO1.C=CC
InChIInChI=1S/C6H10O3.C3H6/c1(5-3-8-5)7-2-6-4-9-6;1-3-2/h5-6H,1-4H2;3H,1H2,2H3
InChIKeyXXQDTTDHXYEIDM-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.99
Rot. Bonds4

About 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene

2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene (PubChem CID 19873242) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
PubChem CID19873242
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
SMILESC(OCC1CO1)C1CO1.C=CC
InChIInChI=1S/C6H10O3.C3H6/c1(5-3-8-5)7-2-6-4-9-6;1-3-2/h5-6H,1-4H2;3H,1H2,2H3
InChIKeyXXQDTTDHXYEIDM-UHFFFAOYSA-N
XLogP0.99
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene (CID 19873242) is 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene is C(OCC1CO1)C1CO1.C=CC.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
The InChIKey is XXQDTTDHXYEIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H6/c1(5-3-8-5)7-2-6-4-9-6;1-3-2/h5-6H,1-4H2;3H,1H2,2H3.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene has a molecular weight of 172.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene is sourced from PubChem (CID 19873242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).