2-(hex-4-en-2-yloxymethyl)oxirane

C9H16O2 — CID 89335517

IUPAC2-(hex-4-en-2-yloxymethyl)oxirane
SMILESCC=CCC(C)OCC1CO1
InChIInChI=1S/C9H16O2/c1-3-4-5-8(2)10-6-9-7-11-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyFMXBWAYOMGWOQF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds5

About 2-(hex-4-en-2-yloxymethyl)oxirane

2-(hex-4-en-2-yloxymethyl)oxirane (PubChem CID 89335517) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(hex-4-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(hex-4-en-2-yloxymethyl)oxirane
PubChem CID89335517
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(hex-4-en-2-yloxymethyl)oxirane
SMILESCC=CCC(C)OCC1CO1
InChIInChI=1S/C9H16O2/c1-3-4-5-8(2)10-6-9-7-11-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyFMXBWAYOMGWOQF-UHFFFAOYSA-N
XLogP1.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
5-(fluoromethoxy)hex-2-ene
CID 123942986
2-(1-bromoethoxymethyl)oxirane
CID 20568723
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
CID 134464354
2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 6436935
2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;prop-2-enoic acid
CID 87064307
2-(oxiran-2-ylmethoxy)propyl-tripropoxysilane
CID 22169298
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344

Frequently Asked Questions

What is the IUPAC name of 2-(hex-4-en-2-yloxymethyl)oxirane?
The IUPAC name of 2-(hex-4-en-2-yloxymethyl)oxirane (CID 89335517) is 2-(hex-4-en-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(hex-4-en-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(hex-4-en-2-yloxymethyl)oxirane is CC=CCC(C)OCC1CO1.
What is the InChIKey of 2-(hex-4-en-2-yloxymethyl)oxirane?
The InChIKey is FMXBWAYOMGWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-8(2)10-6-9-7-11-9/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 2-(hex-4-en-2-yloxymethyl)oxirane?
2-(hex-4-en-2-yloxymethyl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-4-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 89335517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).