(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene

C11H16O — CID 134995987

IUPAC(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
SMILESCC1=CC[C@]2(CC=CCO2)CC1
InChIInChI=1S/C11H16O/c1-10-4-7-11(8-5-10)6-2-3-9-12-11/h2-4H,5-9H2,1H3/t11-/m1/s1
InChIKeyWCNZUWWYBAZDNU-LLVKDONJSA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds

About (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene

(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene (PubChem CID 134995987) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene.

Molecular Properties

Compound Name(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
PubChem CID134995987
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
SMILESCC1=CC[C@]2(CC=CCO2)CC1
InChIInChI=1S/C11H16O/c1-10-4-7-11(8-5-10)6-2-3-9-12-11/h2-4H,5-9H2,1H3/t11-/m1/s1
InChIKeyWCNZUWWYBAZDNU-LLVKDONJSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
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 (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
The IUPAC name of (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene (CID 134995987) is (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene.
What is the SMILES notation for (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
The canonical SMILES for (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene is CC1=CC[C@]2(CC=CCO2)CC1.
What is the InChIKey of (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
The InChIKey is WCNZUWWYBAZDNU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O/c1-10-4-7-11(8-5-10)6-2-3-9-12-11/h2-4H,5-9H2,1H3/t11-/m1/s1.
What are the key properties of (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene has a molecular weight of 164.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene is sourced from PubChem (CID 134995987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).