undeca-1,10-dien-4-yn-6-one

C11H14O — CID 10931757

IUPACundeca-1,10-dien-4-yn-6-one
SMILESC=CCC#CC(=O)CCCC=C
InChIInChI=1S/C11H14O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-4H,1-2,5-7,9H2
InChIKeySICPJTUSRCBFLE-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.49
Rot. Bonds5

About undeca-1,10-dien-4-yn-6-one

undeca-1,10-dien-4-yn-6-one (PubChem CID 10931757) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is undeca-1,10-dien-4-yn-6-one.

Molecular Properties

Compound Nameundeca-1,10-dien-4-yn-6-one
PubChem CID10931757
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Nameundeca-1,10-dien-4-yn-6-one
SMILESC=CCC#CC(=O)CCCC=C
InChIInChI=1S/C11H14O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-4H,1-2,5-7,9H2
InChIKeySICPJTUSRCBFLE-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of undeca-1,10-dien-4-yn-6-one?
The IUPAC name of undeca-1,10-dien-4-yn-6-one (CID 10931757) is undeca-1,10-dien-4-yn-6-one.
What is the SMILES notation for undeca-1,10-dien-4-yn-6-one?
The canonical SMILES for undeca-1,10-dien-4-yn-6-one is C=CCC#CC(=O)CCCC=C.
What is the InChIKey of undeca-1,10-dien-4-yn-6-one?
The InChIKey is SICPJTUSRCBFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-4H,1-2,5-7,9H2.
What are the key properties of undeca-1,10-dien-4-yn-6-one?
undeca-1,10-dien-4-yn-6-one has a molecular weight of 162.23 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,10-dien-4-yn-6-one is sourced from PubChem (CID 10931757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).