1-oxaspiro[5.5]undec-3-ene

C10H16O — CID 14546147

IUPAC1-oxaspiro[5.5]undec-3-ene
SMILESC1=CCC2(CCCCC2)OC1
InChIInChI=1S/C10H16O/c1-2-6-10(7-3-1)8-4-5-9-11-10/h4-5H,1-3,6-9H2
InChIKeyJIIDPKMBTFQSFR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds

About 1-oxaspiro[5.5]undec-3-ene

1-oxaspiro[5.5]undec-3-ene (PubChem CID 14546147) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name1-oxaspiro[5.5]undec-3-ene
PubChem CID14546147
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-oxaspiro[5.5]undec-3-ene
SMILESC1=CCC2(CCCCC2)OC1
InChIInChI=1S/C10H16O/c1-2-6-10(7-3-1)8-4-5-9-11-10/h4-5H,1-3,6-9H2
InChIKeyJIIDPKMBTFQSFR-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undec-3-ene?
The IUPAC name of 1-oxaspiro[5.5]undec-3-ene (CID 14546147) is 1-oxaspiro[5.5]undec-3-ene.
What is the SMILES notation for 1-oxaspiro[5.5]undec-3-ene?
The canonical SMILES for 1-oxaspiro[5.5]undec-3-ene is C1=CCC2(CCCCC2)OC1.
What is the InChIKey of 1-oxaspiro[5.5]undec-3-ene?
The InChIKey is JIIDPKMBTFQSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-6-10(7-3-1)8-4-5-9-11-10/h4-5H,1-3,6-9H2.
What are the key properties of 1-oxaspiro[5.5]undec-3-ene?
1-oxaspiro[5.5]undec-3-ene has a molecular weight of 152.24 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undec-3-ene is sourced from PubChem (CID 14546147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).