1,6-dioxaspiro[4.5]dec-9-ene

C8H12O2 — CID 10103252

IUPAC1,6-dioxaspiro[4.5]dec-9-ene
SMILESC1=CC2(CCCO2)OCC1
InChIInChI=1S/C8H12O2/c1-2-6-9-8(4-1)5-3-7-10-8/h1,4H,2-3,5-7H2
InChIKeyNVJUEJIIKVSYME-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

About 1,6-dioxaspiro[4.5]dec-9-ene

1,6-dioxaspiro[4.5]dec-9-ene (PubChem CID 10103252) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1,6-dioxaspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name1,6-dioxaspiro[4.5]dec-9-ene
PubChem CID10103252
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1,6-dioxaspiro[4.5]dec-9-ene
SMILESC1=CC2(CCCO2)OCC1
InChIInChI=1S/C8H12O2/c1-2-6-9-8(4-1)5-3-7-10-8/h1,4H,2-3,5-7H2
InChIKeyNVJUEJIIKVSYME-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 1,6-dioxaspiro[4.5]dec-9-ene?
The IUPAC name of 1,6-dioxaspiro[4.5]dec-9-ene (CID 10103252) is 1,6-dioxaspiro[4.5]dec-9-ene.
What is the SMILES notation for 1,6-dioxaspiro[4.5]dec-9-ene?
The canonical SMILES for 1,6-dioxaspiro[4.5]dec-9-ene is C1=CC2(CCCO2)OCC1.
What is the InChIKey of 1,6-dioxaspiro[4.5]dec-9-ene?
The InChIKey is NVJUEJIIKVSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-9-8(4-1)5-3-7-10-8/h1,4H,2-3,5-7H2.
What are the key properties of 1,6-dioxaspiro[4.5]dec-9-ene?
1,6-dioxaspiro[4.5]dec-9-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 1,6-dioxaspiro[4.5]dec-9-ene is sourced from PubChem (CID 10103252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).