4-methyl-1-oxaspiro[5.5]undec-4-ene

C11H18O — CID 642949

IUPAC4-methyl-1-oxaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CCCCC2)OCC1
InChIInChI=1S/C11H18O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h9H,2-8H2,1H3
InChIKeyISLOQGXCPSLGBV-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.06
Rot. Bonds

About 4-methyl-1-oxaspiro[5.5]undec-4-ene

4-methyl-1-oxaspiro[5.5]undec-4-ene (PubChem CID 642949) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-methyl-1-oxaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name4-methyl-1-oxaspiro[5.5]undec-4-ene
PubChem CID642949
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-methyl-1-oxaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CCCCC2)OCC1
InChIInChI=1S/C11H18O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h9H,2-8H2,1H3
InChIKeyISLOQGXCPSLGBV-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 4-methyl-1-oxaspiro[5.5]undec-4-ene?
The IUPAC name of 4-methyl-1-oxaspiro[5.5]undec-4-ene (CID 642949) is 4-methyl-1-oxaspiro[5.5]undec-4-ene.
What is the SMILES notation for 4-methyl-1-oxaspiro[5.5]undec-4-ene?
The canonical SMILES for 4-methyl-1-oxaspiro[5.5]undec-4-ene is CC1=CC2(CCCCC2)OCC1.
What is the InChIKey of 4-methyl-1-oxaspiro[5.5]undec-4-ene?
The InChIKey is ISLOQGXCPSLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h9H,2-8H2,1H3.
What are the key properties of 4-methyl-1-oxaspiro[5.5]undec-4-ene?
4-methyl-1-oxaspiro[5.5]undec-4-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 4-methyl-1-oxaspiro[5.5]undec-4-ene is sourced from PubChem (CID 642949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).