2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane

C16H26O3 — CID 141162362

IUPAC2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane
SMILESCC=CC(CC)(OC(C=CC)(CC)C1CO1)C1CO1
InChIInChI=1S/C16H26O3/c1-5-9-15(7-3,13-11-17-13)19-16(8-4,10-6-2)14-12-18-14/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3
InChIKeyCMELVADIHCAMHG-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.25
Rot. Bonds8

About 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane

2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane (PubChem CID 141162362) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane.

Molecular Properties

Compound Name2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane
PubChem CID141162362
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane
SMILESCC=CC(CC)(OC(C=CC)(CC)C1CO1)C1CO1
InChIInChI=1S/C16H26O3/c1-5-9-15(7-3,13-11-17-13)19-16(8-4,10-6-2)14-12-18-14/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3
InChIKeyCMELVADIHCAMHG-UHFFFAOYSA-N
XLogP3.25
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.25
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-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane?
The IUPAC name of 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane (CID 141162362) is 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane.
What is the SMILES notation for 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane?
The canonical SMILES for 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane is CC=CC(CC)(OC(C=CC)(CC)C1CO1)C1CO1.
What is the InChIKey of 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane?
The InChIKey is CMELVADIHCAMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-9-15(7-3,13-11-17-13)19-16(8-4,10-6-2)14-12-18-14/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3.
What are the key properties of 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane?
2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane has a molecular weight of 266.38 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane is sourced from PubChem (CID 141162362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).