1,4-dioxaspiro[4.5]dec-6-ene

C8H12O2 — CID 559316

IUPAC1,4-dioxaspiro[4.5]dec-6-ene
SMILESC1=CC2(CCC1)OCCO2
InChIInChI=1S/C8H12O2/c1-2-4-8(5-3-1)9-6-7-10-8/h2,4H,1,3,5-7H2
InChIKeyBUDISQPHJKMXOY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

About 1,4-dioxaspiro[4.5]dec-6-ene

1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 559316) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID559316
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1,4-dioxaspiro[4.5]dec-6-ene
SMILESC1=CC2(CCC1)OCCO2
InChIInChI=1S/C8H12O2/c1-2-4-8(5-3-1)9-6-7-10-8/h2,4H,1,3,5-7H2
InChIKeyBUDISQPHJKMXOY-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 1,4-dioxaspiro[4.5]dec-6-ene (CID 559316) is 1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 1,4-dioxaspiro[4.5]dec-6-ene is C1=CC2(CCC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is BUDISQPHJKMXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-4-8(5-3-1)9-6-7-10-8/h2,4H,1,3,5-7H2.
What are the key properties of 1,4-dioxaspiro[4.5]dec-6-ene?
1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 140.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 559316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).