3-penta-1,3-dienoxyoxane

C10H16O2 — CID 173344066

IUPAC3-penta-1,3-dienoxyoxane
SMILESCC=CC=COC1CCCOC1
InChIInChI=1S/C10H16O2/c1-2-3-4-8-12-10-6-5-7-11-9-10/h2-4,8,10H,5-7,9H2,1H3
InChIKeyYDCKJQNAZGHYIO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds3

About 3-penta-1,3-dienoxyoxane

3-penta-1,3-dienoxyoxane (PubChem CID 173344066) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-penta-1,3-dienoxyoxane.

Molecular Properties

Compound Name3-penta-1,3-dienoxyoxane
PubChem CID173344066
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-penta-1,3-dienoxyoxane
SMILESCC=CC=COC1CCCOC1
InChIInChI=1S/C10H16O2/c1-2-3-4-8-12-10-6-5-7-11-9-10/h2-4,8,10H,5-7,9H2,1H3
InChIKeyYDCKJQNAZGHYIO-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-penta-1,3-dienoxyoxane?
The IUPAC name of 3-penta-1,3-dienoxyoxane (CID 173344066) is 3-penta-1,3-dienoxyoxane.
What is the SMILES notation for 3-penta-1,3-dienoxyoxane?
The canonical SMILES for 3-penta-1,3-dienoxyoxane is CC=CC=COC1CCCOC1.
What is the InChIKey of 3-penta-1,3-dienoxyoxane?
The InChIKey is YDCKJQNAZGHYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-8-12-10-6-5-7-11-9-10/h2-4,8,10H,5-7,9H2,1H3.
What are the key properties of 3-penta-1,3-dienoxyoxane?
3-penta-1,3-dienoxyoxane has a molecular weight of 168.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-penta-1,3-dienoxyoxane is sourced from PubChem (CID 173344066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).