1-propa-1,2-dienoxyoctane

C11H20O — CID 11052055

IUPAC1-propa-1,2-dienoxyoctane
SMILESC=C=COCCCCCCCC
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-9-11-12-10-4-2/h10H,2-3,5-9,11H2,1H3
InChIKeyGCUOXZBIAZDEMX-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.66
Rot. Bonds8

About 1-propa-1,2-dienoxyoctane

1-propa-1,2-dienoxyoctane (PubChem CID 11052055) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-propa-1,2-dienoxyoctane.

Molecular Properties

Compound Name1-propa-1,2-dienoxyoctane
PubChem CID11052055
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-propa-1,2-dienoxyoctane
SMILESC=C=COCCCCCCCC
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-9-11-12-10-4-2/h10H,2-3,5-9,11H2,1H3
InChIKeyGCUOXZBIAZDEMX-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propa-1,2-dienoxyoctane?
The IUPAC name of 1-propa-1,2-dienoxyoctane (CID 11052055) is 1-propa-1,2-dienoxyoctane.
What is the SMILES notation for 1-propa-1,2-dienoxyoctane?
The canonical SMILES for 1-propa-1,2-dienoxyoctane is C=C=COCCCCCCCC.
What is the InChIKey of 1-propa-1,2-dienoxyoctane?
The InChIKey is GCUOXZBIAZDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-6-7-8-9-11-12-10-4-2/h10H,2-3,5-9,11H2,1H3.
What are the key properties of 1-propa-1,2-dienoxyoctane?
1-propa-1,2-dienoxyoctane has a molecular weight of 168.28 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienoxyoctane is sourced from PubChem (CID 11052055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).