1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene

C10H16O2 — CID 102531158

IUPAC1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene
SMILESCC1=CCOC2(CCOC2C)C1
InChIInChI=1S/C10H16O2/c1-8-3-5-12-10(7-8)4-6-11-9(10)2/h3,9H,4-7H2,1-2H3
InChIKeyCUEBNNJMEZEPJU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.90
Rot. Bonds

About 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene

1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene (PubChem CID 102531158) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene.

Molecular Properties

Compound Name1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene
PubChem CID102531158
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene
SMILESCC1=CCOC2(CCOC2C)C1
InChIInChI=1S/C10H16O2/c1-8-3-5-12-10(7-8)4-6-11-9(10)2/h3,9H,4-7H2,1-2H3
InChIKeyCUEBNNJMEZEPJU-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.90
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 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene?
The IUPAC name of 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene (CID 102531158) is 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene.
What is the SMILES notation for 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene?
The canonical SMILES for 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene is CC1=CCOC2(CCOC2C)C1.
What is the InChIKey of 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene?
The InChIKey is CUEBNNJMEZEPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-3-5-12-10(7-8)4-6-11-9(10)2/h3,9H,4-7H2,1-2H3.
What are the key properties of 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene?
1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene has a molecular weight of 168.24 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-2,6-dioxaspiro[4.5]dec-8-ene is sourced from PubChem (CID 102531158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).