spiro[5.5]undeca-1,4-dien-9-one

C11H14O — CID 89061769

IUPACspiro[5.5]undeca-1,4-dien-9-one
SMILESO=C1CCC2(C=CCC=C2)CC1
InChIInChI=1S/C11H14O/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h2-3,6-7H,1,4-5,8-9H2
InChIKeyQJNUFQSBKIFLHR-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.63
Rot. Bonds

About spiro[5.5]undeca-1,4-dien-9-one

spiro[5.5]undeca-1,4-dien-9-one (PubChem CID 89061769) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is spiro[5.5]undeca-1,4-dien-9-one.

Molecular Properties

Compound Namespiro[5.5]undeca-1,4-dien-9-one
PubChem CID89061769
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Namespiro[5.5]undeca-1,4-dien-9-one
SMILESO=C1CCC2(C=CCC=C2)CC1
InChIInChI=1S/C11H14O/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h2-3,6-7H,1,4-5,8-9H2
InChIKeyQJNUFQSBKIFLHR-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.63
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 spiro[5.5]undeca-1,4-dien-9-one?
The IUPAC name of spiro[5.5]undeca-1,4-dien-9-one (CID 89061769) is spiro[5.5]undeca-1,4-dien-9-one.
What is the SMILES notation for spiro[5.5]undeca-1,4-dien-9-one?
The canonical SMILES for spiro[5.5]undeca-1,4-dien-9-one is O=C1CCC2(C=CCC=C2)CC1.
What is the InChIKey of spiro[5.5]undeca-1,4-dien-9-one?
The InChIKey is QJNUFQSBKIFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of spiro[5.5]undeca-1,4-dien-9-one?
spiro[5.5]undeca-1,4-dien-9-one has a molecular weight of 162.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undeca-1,4-dien-9-one is sourced from PubChem (CID 89061769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).