butanoic acid;heptanoic acid

C11H22O4 — CID 88628383

IUPACbutanoic acid;heptanoic acid
SMILESCCCC(=O)O.CCCCCCC(=O)O
InChIInChI=1S/C7H14O2.C4H8O2/c1-2-3-4-5-6-7(8)9;1-2-3-4(5)6/h2-6H2,1H3,(H,8,9);2-3H2,1H3,(H,5,6)
InChIKeyOLONXXFWOCZGPO-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.91
Rot. Bonds7

About butanoic acid;heptanoic acid

butanoic acid;heptanoic acid (PubChem CID 88628383) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is butanoic acid;heptanoic acid.

Molecular Properties

Compound Namebutanoic acid;heptanoic acid
PubChem CID88628383
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Namebutanoic acid;heptanoic acid
SMILESCCCC(=O)O.CCCCCCC(=O)O
InChIInChI=1S/C7H14O2.C4H8O2/c1-2-3-4-5-6-7(8)9;1-2-3-4(5)6/h2-6H2,1H3,(H,8,9);2-3H2,1H3,(H,5,6)
InChIKeyOLONXXFWOCZGPO-UHFFFAOYSA-N
XLogP2.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butanoic acid;heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanoic acid;tetradecanoic acid
CID 157185085
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
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

Frequently Asked Questions

What is the IUPAC name of butanoic acid;heptanoic acid?
The IUPAC name of butanoic acid;heptanoic acid (CID 88628383) is butanoic acid;heptanoic acid.
What is the SMILES notation for butanoic acid;heptanoic acid?
The canonical SMILES for butanoic acid;heptanoic acid is CCCC(=O)O.CCCCCCC(=O)O.
What is the InChIKey of butanoic acid;heptanoic acid?
The InChIKey is OLONXXFWOCZGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C4H8O2/c1-2-3-4-5-6-7(8)9;1-2-3-4(5)6/h2-6H2,1H3,(H,8,9);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;heptanoic acid?
butanoic acid;heptanoic acid has a molecular weight of 218.29 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;heptanoic acid is sourced from PubChem (CID 88628383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).