hexadec-15-en-5-one

C16H30O — CID 91482743

IUPAChexadec-15-en-5-one
SMILESC=CCCCCCCCCCC(=O)CCCC
InChIInChI=1S/C16H30O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h3H,1,4-15H2,2H3
InChIKeyQGWAAZFFJQWLDR-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.44
Rot. Bonds13

About hexadec-15-en-5-one

hexadec-15-en-5-one (PubChem CID 91482743) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is hexadec-15-en-5-one.

Molecular Properties

Compound Namehexadec-15-en-5-one
PubChem CID91482743
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Namehexadec-15-en-5-one
SMILESC=CCCCCCCCCCC(=O)CCCC
InChIInChI=1S/C16H30O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h3H,1,4-15H2,2H3
InChIKeyQGWAAZFFJQWLDR-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.44
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
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
tricosa-1,22-dien-12-one
CID 86210796
tetradec-1-en-5-one
CID 11195184
non-8-en-4-one
CID 11137251
dec-1-ene;dec-9-enoic acid
CID 87497067
8-methylidenedodec-1-ene
CID 169088157
tetracosa-20,23-dien-10-one
CID 123873281
dodecan-5-one
CID 29771
1-(methylamino)dec-9-en-3-one
CID 107010832
indium(3+);octadec-1-ene;tris(tetradecanoate)
CID 175277283

Frequently Asked Questions

What is the IUPAC name of hexadec-15-en-5-one?
The IUPAC name of hexadec-15-en-5-one (CID 91482743) is hexadec-15-en-5-one.
What is the SMILES notation for hexadec-15-en-5-one?
The canonical SMILES for hexadec-15-en-5-one is C=CCCCCCCCCCC(=O)CCCC.
What is the InChIKey of hexadec-15-en-5-one?
The InChIKey is QGWAAZFFJQWLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h3H,1,4-15H2,2H3.
What are the key properties of hexadec-15-en-5-one?
hexadec-15-en-5-one has a molecular weight of 238.41 g/mol, XLogP of 5.44, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-15-en-5-one is sourced from PubChem (CID 91482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).