2-ethenyl-1-oxaspiro[2.5]octane

C9H14O — CID 11062454

IUPAC2-ethenyl-1-oxaspiro[2.5]octane
SMILESC=CC1OC12CCCCC2
InChIInChI=1S/C9H14O/c1-2-8-9(10-8)6-4-3-5-7-9/h2,8H,1,3-7H2
InChIKeyQFPBCHJAKUCLQC-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds1

About 2-ethenyl-1-oxaspiro[2.5]octane

2-ethenyl-1-oxaspiro[2.5]octane (PubChem CID 11062454) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethenyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name2-ethenyl-1-oxaspiro[2.5]octane
PubChem CID11062454
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-ethenyl-1-oxaspiro[2.5]octane
SMILESC=CC1OC12CCCCC2
InChIInChI=1S/C9H14O/c1-2-8-9(10-8)6-4-3-5-7-9/h2,8H,1,3-7H2
InChIKeyQFPBCHJAKUCLQC-UHFFFAOYSA-N
XLogP2.27
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethenyl-1-oxaspiro[2.5]octane?
The IUPAC name of 2-ethenyl-1-oxaspiro[2.5]octane (CID 11062454) is 2-ethenyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 2-ethenyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 2-ethenyl-1-oxaspiro[2.5]octane is C=CC1OC12CCCCC2.
What is the InChIKey of 2-ethenyl-1-oxaspiro[2.5]octane?
The InChIKey is QFPBCHJAKUCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-8-9(10-8)6-4-3-5-7-9/h2,8H,1,3-7H2.
What are the key properties of 2-ethenyl-1-oxaspiro[2.5]octane?
2-ethenyl-1-oxaspiro[2.5]octane has a molecular weight of 138.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 11062454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).