2-(2-prop-1-enoxyethoxymethyl)oxirane

C8H14O3 — CID 139917765

IUPAC2-(2-prop-1-enoxyethoxymethyl)oxirane
SMILESCC=COCCOCC1CO1
InChIInChI=1S/C8H14O3/c1-2-3-9-4-5-10-6-8-7-11-8/h2-3,8H,4-7H2,1H3
InChIKeyIMAYBGANHYLHFI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds6

About 2-(2-prop-1-enoxyethoxymethyl)oxirane

2-(2-prop-1-enoxyethoxymethyl)oxirane (PubChem CID 139917765) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2-prop-1-enoxyethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-prop-1-enoxyethoxymethyl)oxirane
PubChem CID139917765
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(2-prop-1-enoxyethoxymethyl)oxirane
SMILESCC=COCCOCC1CO1
InChIInChI=1S/C8H14O3/c1-2-3-9-4-5-10-6-8-7-11-8/h2-3,8H,4-7H2,1H3
InChIKeyIMAYBGANHYLHFI-UHFFFAOYSA-N
XLogP0.95
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Epoxy-3-(propenyloxy)propane
CID 6436935
2-[(1-Propen-1-yloxy)methyl]oxirane
CID 102656
2-[[(Z)-prop-1-enoxy]methyl]oxirane
CID 11126219
1,2,3-Tris(1-propenoxy)propane
CID 53719872
6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
2-(Prop-1-en-2-yloxymethyl)oxirane
CID 12239457
2-[[(1E)-buta-1,3-dienoxy]methyl]oxirane
CID 19079971
2-(Oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 19873242
2-[[(E)-but-1-enoxy]methyl]oxirane
CID 21225241
1,2,3-tris[(E)-prop-1-enoxy]propane
CID 22051876
Ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-[(E)-prop-1-enoxy]ethoxycyclopropane
CID 23556503

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-1-enoxyethoxymethyl)oxirane?
The IUPAC name of 2-(2-prop-1-enoxyethoxymethyl)oxirane (CID 139917765) is 2-(2-prop-1-enoxyethoxymethyl)oxirane.
What is the SMILES notation for 2-(2-prop-1-enoxyethoxymethyl)oxirane?
The canonical SMILES for 2-(2-prop-1-enoxyethoxymethyl)oxirane is CC=COCCOCC1CO1.
What is the InChIKey of 2-(2-prop-1-enoxyethoxymethyl)oxirane?
The InChIKey is IMAYBGANHYLHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-9-4-5-10-6-8-7-11-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-(2-prop-1-enoxyethoxymethyl)oxirane?
2-(2-prop-1-enoxyethoxymethyl)oxirane has a molecular weight of 158.20 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-enoxyethoxymethyl)oxirane is sourced from PubChem (CID 139917765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).