2-(2-prop-2-enoxyethoxymethyl)oxirane

C8H14O3 — CID 13263129

IUPAC2-(2-prop-2-enoxyethoxymethyl)oxirane
SMILESC=CCOCCOCC1CO1
InChIInChI=1S/C8H14O3/c1-2-3-9-4-5-10-6-8-7-11-8/h2,8H,1,3-7H2
InChIKeyJPEKYNQDIYBOQP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.60
Rot. Bonds7

About 2-(2-prop-2-enoxyethoxymethyl)oxirane

2-(2-prop-2-enoxyethoxymethyl)oxirane (PubChem CID 13263129) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-prop-2-enoxyethoxymethyl)oxirane
PubChem CID13263129
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(2-prop-2-enoxyethoxymethyl)oxirane
SMILESC=CCOCCOCC1CO1
InChIInChI=1S/C8H14O3/c1-2-3-9-4-5-10-6-8-7-11-8/h2,8H,1,3-7H2
InChIKeyJPEKYNQDIYBOQP-UHFFFAOYSA-N
XLogP0.60
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-prop-2-enoxyethoxymethyl)oxirane?
The IUPAC name of 2-(2-prop-2-enoxyethoxymethyl)oxirane (CID 13263129) is 2-(2-prop-2-enoxyethoxymethyl)oxirane.
What is the SMILES notation for 2-(2-prop-2-enoxyethoxymethyl)oxirane?
The canonical SMILES for 2-(2-prop-2-enoxyethoxymethyl)oxirane is C=CCOCCOCC1CO1.
What is the InChIKey of 2-(2-prop-2-enoxyethoxymethyl)oxirane?
The InChIKey is JPEKYNQDIYBOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-9-4-5-10-6-8-7-11-8/h2,8H,1,3-7H2.
What are the key properties of 2-(2-prop-2-enoxyethoxymethyl)oxirane?
2-(2-prop-2-enoxyethoxymethyl)oxirane has a molecular weight of 158.20 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyethoxymethyl)oxirane is sourced from PubChem (CID 13263129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).