dec-1-en-9-yn-5-one

C10H14O — CID 14265374

IUPACdec-1-en-9-yn-5-one
SMILESC#CCCCC(=O)CCC=C
InChIInChI=1S/C10H14O/c1-3-5-7-9-10(11)8-6-4-2/h1,4H,2,5-9H2
InChIKeyPTYHWYWEYPWZFM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.33
Rot. Bonds6

About dec-1-en-9-yn-5-one

dec-1-en-9-yn-5-one (PubChem CID 14265374) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is dec-1-en-9-yn-5-one.

Molecular Properties

Compound Namedec-1-en-9-yn-5-one
PubChem CID14265374
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namedec-1-en-9-yn-5-one
SMILESC#CCCCC(=O)CCC=C
InChIInChI=1S/C10H14O/c1-3-5-7-9-10(11)8-6-4-2/h1,4H,2,5-9H2
InChIKeyPTYHWYWEYPWZFM-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.33
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dec-1-en-9-yn-5-one?
The IUPAC name of dec-1-en-9-yn-5-one (CID 14265374) is dec-1-en-9-yn-5-one.
What is the SMILES notation for dec-1-en-9-yn-5-one?
The canonical SMILES for dec-1-en-9-yn-5-one is C#CCCCC(=O)CCC=C.
What is the InChIKey of dec-1-en-9-yn-5-one?
The InChIKey is PTYHWYWEYPWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-7-9-10(11)8-6-4-2/h1,4H,2,5-9H2.
What are the key properties of dec-1-en-9-yn-5-one?
dec-1-en-9-yn-5-one has a molecular weight of 150.22 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-en-9-yn-5-one is sourced from PubChem (CID 14265374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).