2-(hex-5-en-3-yloxymethyl)oxirane

C9H16O2 — CID 174217213

IUPAC2-(hex-5-en-3-yloxymethyl)oxirane
SMILESC=CCC(CC)OCC1CO1
InChIInChI=1S/C9H16O2/c1-3-5-8(4-2)10-6-9-7-11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyARUCYZRBEBYHAR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds6

About 2-(hex-5-en-3-yloxymethyl)oxirane

2-(hex-5-en-3-yloxymethyl)oxirane (PubChem CID 174217213) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(hex-5-en-3-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(hex-5-en-3-yloxymethyl)oxirane
PubChem CID174217213
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(hex-5-en-3-yloxymethyl)oxirane
SMILESC=CCC(CC)OCC1CO1
InChIInChI=1S/C9H16O2/c1-3-5-8(4-2)10-6-9-7-11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyARUCYZRBEBYHAR-UHFFFAOYSA-N
XLogP1.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-en-3-yloxymethyl)oxirane?
The IUPAC name of 2-(hex-5-en-3-yloxymethyl)oxirane (CID 174217213) is 2-(hex-5-en-3-yloxymethyl)oxirane.
What is the SMILES notation for 2-(hex-5-en-3-yloxymethyl)oxirane?
The canonical SMILES for 2-(hex-5-en-3-yloxymethyl)oxirane is C=CCC(CC)OCC1CO1.
What is the InChIKey of 2-(hex-5-en-3-yloxymethyl)oxirane?
The InChIKey is ARUCYZRBEBYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-8(4-2)10-6-9-7-11-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-(hex-5-en-3-yloxymethyl)oxirane?
2-(hex-5-en-3-yloxymethyl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-en-3-yloxymethyl)oxirane is sourced from PubChem (CID 174217213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).