7-oxopentadecanoic acid

C15H28O3 — CID 14454467

IUPAC7-oxopentadecanoic acid
SMILESCCCCCCCCC(=O)CCCCCC(=O)O
InChIInChI=1S/C15H28O3/c1-2-3-4-5-6-8-11-14(16)12-9-7-10-13-15(17)18/h2-13H2,1H3,(H,17,18)
InChIKeyLXPWIKFRORWVFB-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.34
Rot. Bonds13

About 7-oxopentadecanoic acid

7-oxopentadecanoic acid (PubChem CID 14454467) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 7-oxopentadecanoic acid.

Molecular Properties

Compound Name7-oxopentadecanoic acid
PubChem CID14454467
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name7-oxopentadecanoic acid
SMILESCCCCCCCCC(=O)CCCCCC(=O)O
InChIInChI=1S/C15H28O3/c1-2-3-4-5-6-8-11-14(16)12-9-7-10-13-15(17)18/h2-13H2,1H3,(H,17,18)
InChIKeyLXPWIKFRORWVFB-UHFFFAOYSA-N
XLogP4.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of 7-oxopentadecanoic acid?
The IUPAC name of 7-oxopentadecanoic acid (CID 14454467) is 7-oxopentadecanoic acid.
What is the SMILES notation for 7-oxopentadecanoic acid?
The canonical SMILES for 7-oxopentadecanoic acid is CCCCCCCCC(=O)CCCCCC(=O)O.
What is the InChIKey of 7-oxopentadecanoic acid?
The InChIKey is LXPWIKFRORWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-3-4-5-6-8-11-14(16)12-9-7-10-13-15(17)18/h2-13H2,1H3,(H,17,18).
What are the key properties of 7-oxopentadecanoic acid?
7-oxopentadecanoic acid has a molecular weight of 256.39 g/mol, XLogP of 4.34, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxopentadecanoic acid is sourced from PubChem (CID 14454467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).