3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene

C11H18O — CID 58641851

IUPAC3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCCCC2)OC1
InChIInChI=1S/C11H18O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h3-8H2,1-2H3
InChIKeyMJVQCCYMJIKVCP-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.06
Rot. Bonds

About 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene

3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 58641851) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID58641851
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCCCC2)OC1
InChIInChI=1S/C11H18O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h3-8H2,1-2H3
InChIKeyMJVQCCYMJIKVCP-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.06
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 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene (CID 58641851) is 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene is CC1=C(C)C2(CCCCC2)OC1.
What is the InChIKey of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is MJVQCCYMJIKVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-8-12-11(10(9)2)6-4-3-5-7-11/h3-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene?
3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 166.26 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 58641851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).