2-octoxyoxolane

C12H24O2 — CID 12502115

IUPAC2-octoxyoxolane
SMILESCCCCCCCCOC1CCCO1
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-10-13-12-9-8-11-14-12/h12H,2-11H2,1H3
InChIKeyPROJLTKNRBRJSX-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.50
Rot. Bonds8

About 2-octoxyoxolane

2-octoxyoxolane (PubChem CID 12502115) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-octoxyoxolane.

Molecular Properties

Compound Name2-octoxyoxolane
PubChem CID12502115
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-octoxyoxolane
SMILESCCCCCCCCOC1CCCO1
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-10-13-12-9-8-11-14-12/h12H,2-11H2,1H3
InChIKeyPROJLTKNRBRJSX-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-octoxyoxolane?
The IUPAC name of 2-octoxyoxolane (CID 12502115) is 2-octoxyoxolane.
What is the SMILES notation for 2-octoxyoxolane?
The canonical SMILES for 2-octoxyoxolane is CCCCCCCCOC1CCCO1.
What is the InChIKey of 2-octoxyoxolane?
The InChIKey is PROJLTKNRBRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-7-10-13-12-9-8-11-14-12/h12H,2-11H2,1H3.
What are the key properties of 2-octoxyoxolane?
2-octoxyoxolane has a molecular weight of 200.32 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxyoxolane is sourced from PubChem (CID 12502115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).