acetic acid;butanoic acid

C12H24O8 — CID 158263120

IUPACacetic acid;butanoic acid
SMILESCC(=O)O.CC(=O)O.CCCC(=O)O.CCCC(=O)O
InChIInChI=1S/2C4H8O2.2C2H4O2/c2*1-2-3-4(5)6;2*1-2(3)4/h2*2-3H2,1H3,(H,5,6);2*1H3,(H,3,4)
InChIKeyGICRMIKIDXPOBC-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.92
Rot. Bonds4

About acetic acid;butanoic acid

acetic acid;butanoic acid (PubChem CID 158263120) has the molecular formula C12H24O8 and a molecular weight of 296.32 g/mol. Its IUPAC name is acetic acid;butanoic acid.

Molecular Properties

Compound Nameacetic acid;butanoic acid
PubChem CID158263120
Molecular FormulaC12H24O8
Molecular Weight296.32 g/mol
Exact Mass296.15
IUPAC Nameacetic acid;butanoic acid
SMILESCC(=O)O.CC(=O)O.CCCC(=O)O.CCCC(=O)O
InChIInChI=1S/2C4H8O2.2C2H4O2/c2*1-2-3-4(5)6;2*1-2(3)4/h2*2-3H2,1H3,(H,5,6);2*1H3,(H,3,4)
InChIKeyGICRMIKIDXPOBC-UHFFFAOYSA-N
XLogP1.92
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetic acid;butanoic 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

acetic acid;butanoic acid
CID 87533224
acetic acid;butanoic acid;propan-2-one
CID 88536932
acetic acid;butanoic acid;cyclohexane
CID 69297326
butanoic acid;bis(propan-2-one);zirconium
CID 174504754
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;zirconium
CID 87090666

Frequently Asked Questions

What is the IUPAC name of acetic acid;butanoic acid?
The IUPAC name of acetic acid;butanoic acid (CID 158263120) is acetic acid;butanoic acid.
What is the SMILES notation for acetic acid;butanoic acid?
The canonical SMILES for acetic acid;butanoic acid is CC(=O)O.CC(=O)O.CCCC(=O)O.CCCC(=O)O.
What is the InChIKey of acetic acid;butanoic acid?
The InChIKey is GICRMIKIDXPOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2.2C2H4O2/c2*1-2-3-4(5)6;2*1-2(3)4/h2*2-3H2,1H3,(H,5,6);2*1H3,(H,3,4).
What are the key properties of acetic acid;butanoic acid?
acetic acid;butanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butanoic acid is sourced from PubChem (CID 158263120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).