(2Z,8E)-cycloundeca-2,8-dien-1-one

C11H16O — CID 171377468

IUPAC(2Z,8E)-cycloundeca-2,8-dien-1-one
SMILESO=C1/C=C\CCCC/C=C/CC1
InChIInChI=1S/C11H16O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h3,5,8,10H,1-2,4,6-7,9H2/b5-3+,10-8-
InChIKeyIAZDZGUYCFSWJN-BVDZGSKYSA-N
MW164.25 g/mol
LogP3.02
Rot. Bonds

About (2Z,8E)-cycloundeca-2,8-dien-1-one

(2Z,8E)-cycloundeca-2,8-dien-1-one (PubChem CID 171377468) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2Z,8E)-cycloundeca-2,8-dien-1-one.

Molecular Properties

Compound Name(2Z,8E)-cycloundeca-2,8-dien-1-one
PubChem CID171377468
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2Z,8E)-cycloundeca-2,8-dien-1-one
SMILESO=C1/C=C\CCCC/C=C/CC1
InChIInChI=1S/C11H16O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h3,5,8,10H,1-2,4,6-7,9H2/b5-3+,10-8-
InChIKeyIAZDZGUYCFSWJN-BVDZGSKYSA-N
XLogP3.02
TPSA17.07 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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2E)-cyclononadec-2-en-1-one
CID 171377738
cyclohex-2-en-1-one;dihydrochloride
CID 21391808
CID 68518361
CID 68518361
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733
cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one
CID 159948874
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
CID 87257523
(4E,10E)-cyclotetradeca-4,10-dien-1-one
CID 21249531

Frequently Asked Questions

What is the IUPAC name of (2Z,8E)-cycloundeca-2,8-dien-1-one?
The IUPAC name of (2Z,8E)-cycloundeca-2,8-dien-1-one (CID 171377468) is (2Z,8E)-cycloundeca-2,8-dien-1-one.
What is the SMILES notation for (2Z,8E)-cycloundeca-2,8-dien-1-one?
The canonical SMILES for (2Z,8E)-cycloundeca-2,8-dien-1-one is O=C1/C=C\CCCC/C=C/CC1.
What is the InChIKey of (2Z,8E)-cycloundeca-2,8-dien-1-one?
The InChIKey is IAZDZGUYCFSWJN-BVDZGSKYSA-N. The full InChI is InChI=1S/C11H16O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h3,5,8,10H,1-2,4,6-7,9H2/b5-3+,10-8-.
What are the key properties of (2Z,8E)-cycloundeca-2,8-dien-1-one?
(2Z,8E)-cycloundeca-2,8-dien-1-one has a molecular weight of 164.25 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8E)-cycloundeca-2,8-dien-1-one is sourced from PubChem (CID 171377468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).