pentadec-14-en-7-one

C15H28O — CID 11528685

IUPACpentadec-14-en-7-one
SMILESC=CCCCCCCC(=O)CCCCCC
InChIInChI=1S/C15H28O/c1-3-5-7-9-10-12-14-15(16)13-11-8-6-4-2/h3H,1,4-14H2,2H3
InChIKeyQIVRQFJRUABARQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.05
Rot. Bonds12

About pentadec-14-en-7-one

pentadec-14-en-7-one (PubChem CID 11528685) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is pentadec-14-en-7-one.

Molecular Properties

Compound Namepentadec-14-en-7-one
PubChem CID11528685
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Namepentadec-14-en-7-one
SMILESC=CCCCCCCC(=O)CCCCCC
InChIInChI=1S/C15H28O/c1-3-5-7-9-10-12-14-15(16)13-11-8-6-4-2/h3H,1,4-14H2,2H3
InChIKeyQIVRQFJRUABARQ-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.05
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'}

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Related Compounds

pentacos-1-en-11-one
CID 21420755
tricos-1-en-11-one
CID 146680996
hexadec-15-en-5-one
CID 91482743
tetradec-1-en-5-one
CID 11195184
tricosa-1,22-dien-12-one
CID 86210796
dec-1-ene;dec-9-enoic acid
CID 87497067
tetracosa-20,23-dien-10-one
CID 123873281
(E)-triacont-15-ene-8,23-dione
CID 11849500
non-8-en-4-one
CID 11137251
acetic acid;oct-1-ene
CID 159976970
indium(3+);octadec-1-ene;tris(tetradecanoate)
CID 175277283
ethene;tridecan-7-one
CID 159715360

Frequently Asked Questions

What is the IUPAC name of pentadec-14-en-7-one?
The IUPAC name of pentadec-14-en-7-one (CID 11528685) is pentadec-14-en-7-one.
What is the SMILES notation for pentadec-14-en-7-one?
The canonical SMILES for pentadec-14-en-7-one is C=CCCCCCCC(=O)CCCCCC.
What is the InChIKey of pentadec-14-en-7-one?
The InChIKey is QIVRQFJRUABARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-7-9-10-12-14-15(16)13-11-8-6-4-2/h3H,1,4-14H2,2H3.
What are the key properties of pentadec-14-en-7-one?
pentadec-14-en-7-one has a molecular weight of 224.39 g/mol, XLogP of 5.05, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-14-en-7-one is sourced from PubChem (CID 11528685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).