deca-1,9-dien-6-yn-5-one

C10H12O — CID 10855627

IUPACdeca-1,9-dien-6-yn-5-one
SMILESC=CCC#CC(=O)CCC=C
InChIInChI=1S/C10H12O/c1-3-5-7-9-10(11)8-6-4-2/h3-4H,1-2,5-6,8H2
InChIKeyLMFZNXZOHJRMRK-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.10
Rot. Bonds4

About deca-1,9-dien-6-yn-5-one

deca-1,9-dien-6-yn-5-one (PubChem CID 10855627) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is deca-1,9-dien-6-yn-5-one.

Molecular Properties

Compound Namedeca-1,9-dien-6-yn-5-one
PubChem CID10855627
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Namedeca-1,9-dien-6-yn-5-one
SMILESC=CCC#CC(=O)CCC=C
InChIInChI=1S/C10H12O/c1-3-5-7-9-10(11)8-6-4-2/h3-4H,1-2,5-6,8H2
InChIKeyLMFZNXZOHJRMRK-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 deca-1,9-dien-6-yn-5-one?
The IUPAC name of deca-1,9-dien-6-yn-5-one (CID 10855627) is deca-1,9-dien-6-yn-5-one.
What is the SMILES notation for deca-1,9-dien-6-yn-5-one?
The canonical SMILES for deca-1,9-dien-6-yn-5-one is C=CCC#CC(=O)CCC=C.
What is the InChIKey of deca-1,9-dien-6-yn-5-one?
The InChIKey is LMFZNXZOHJRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-5-7-9-10(11)8-6-4-2/h3-4H,1-2,5-6,8H2.
What are the key properties of deca-1,9-dien-6-yn-5-one?
deca-1,9-dien-6-yn-5-one has a molecular weight of 148.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-dien-6-yn-5-one is sourced from PubChem (CID 10855627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).