7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C10H16O2 — CID 131852235

IUPAC7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CCC1C)OCCO2
InChIInChI=1S/C10H16O2/c1-8-3-4-10(7-9(8)2)11-5-6-12-10/h7-8H,3-6H2,1-2H3
InChIKeyHKSGBNUXAGCRKQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds

About 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 131852235) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID131852235
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CCC1C)OCCO2
InChIInChI=1S/C10H16O2/c1-8-3-4-10(7-9(8)2)11-5-6-12-10/h7-8H,3-6H2,1-2H3
InChIKeyHKSGBNUXAGCRKQ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 131852235) is 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is CC1=CC2(CCC1C)OCCO2.
What is the InChIKey of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is HKSGBNUXAGCRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-3-4-10(7-9(8)2)11-5-6-12-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 168.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 131852235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).