dec-6-yn-5-one

C10H16O — CID 13156816

IUPACdec-6-yn-5-one
SMILESCCCC#CC(=O)CCCC
InChIInChI=1S/C10H16O/c1-3-5-7-9-10(11)8-6-4-2/h3-6,8H2,1-2H3
InChIKeyABPBGEZLLMTNRL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds4

About dec-6-yn-5-one

dec-6-yn-5-one (PubChem CID 13156816) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is dec-6-yn-5-one.

Molecular Properties

Compound Namedec-6-yn-5-one
PubChem CID13156816
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namedec-6-yn-5-one
SMILESCCCC#CC(=O)CCCC
InChIInChI=1S/C10H16O/c1-3-5-7-9-10(11)8-6-4-2/h3-6,8H2,1-2H3
InChIKeyABPBGEZLLMTNRL-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 dec-6-yn-5-one?
The IUPAC name of dec-6-yn-5-one (CID 13156816) is dec-6-yn-5-one.
What is the SMILES notation for dec-6-yn-5-one?
The canonical SMILES for dec-6-yn-5-one is CCCC#CC(=O)CCCC.
What is the InChIKey of dec-6-yn-5-one?
The InChIKey is ABPBGEZLLMTNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-7-9-10(11)8-6-4-2/h3-6,8H2,1-2H3.
What are the key properties of dec-6-yn-5-one?
dec-6-yn-5-one has a molecular weight of 152.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-6-yn-5-one is sourced from PubChem (CID 13156816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).