tetradec-5-yn-7-one

C14H24O — CID 13479075

IUPACtetradec-5-yn-7-one
SMILESCCCCC#CC(=O)CCCCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h3-9,11,13H2,1-2H3
InChIKeyQVDMSKNOYYPFDC-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.11
Rot. Bonds8

About tetradec-5-yn-7-one

tetradec-5-yn-7-one (PubChem CID 13479075) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is tetradec-5-yn-7-one.

Molecular Properties

Compound Nametetradec-5-yn-7-one
PubChem CID13479075
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nametetradec-5-yn-7-one
SMILESCCCCC#CC(=O)CCCCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h3-9,11,13H2,1-2H3
InChIKeyQVDMSKNOYYPFDC-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 tetradec-5-yn-7-one?
The IUPAC name of tetradec-5-yn-7-one (CID 13479075) is tetradec-5-yn-7-one.
What is the SMILES notation for tetradec-5-yn-7-one?
The canonical SMILES for tetradec-5-yn-7-one is CCCCC#CC(=O)CCCCCCC.
What is the InChIKey of tetradec-5-yn-7-one?
The InChIKey is QVDMSKNOYYPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h3-9,11,13H2,1-2H3.
What are the key properties of tetradec-5-yn-7-one?
tetradec-5-yn-7-one has a molecular weight of 208.34 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-5-yn-7-one is sourced from PubChem (CID 13479075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).