acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid

C18H36O10 — CID 172836544

IUPACacetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid
SMILESCC(=O)O.CC(C)C(=O)O.CC(C)CC(=O)O.CCC(=O)O.CCCC(=O)O
InChIInChI=1S/C5H10O2.2C4H8O2.C3H6O2.C2H4O2/c1-4(2)3-5(6)7;1-3(2)4(5)6;1-2-3-4(5)6;1-2-3(4)5;1-2(3)4/h4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,5,6);2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyWFLNGOOSOSGUOI-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.29
Rot. Bonds6

About acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid

acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid (PubChem CID 172836544) has the molecular formula C18H36O10 and a molecular weight of 412.48 g/mol. Its IUPAC name is acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid.

Molecular Properties

Compound Nameacetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid
PubChem CID172836544
Molecular FormulaC18H36O10
Molecular Weight412.48 g/mol
Exact Mass412.23
IUPAC Nameacetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid
SMILESCC(=O)O.CC(C)C(=O)O.CC(C)CC(=O)O.CCC(=O)O.CCCC(=O)O
InChIInChI=1S/C5H10O2.2C4H8O2.C3H6O2.C2H4O2/c1-4(2)3-5(6)7;1-3(2)4(5)6;1-2-3-4(5)6;1-2-3(4)5;1-2(3)4/h4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,5,6);2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyWFLNGOOSOSGUOI-UHFFFAOYSA-N
XLogP3.29
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic 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;2-methylpropanoic acid
CID 87150327
acetic acid;azane;butanoic acid;2-hydroxypropanoic acid
CID 172838065
acetic acid;butanoic acid
CID 87533224
acetic acid;butanoic acid
CID 158263120
3-methylbutanoic acid;pentanoic acid
CID 87150377
acetic acid;butanoic acid;cyclohexane
CID 69297326
acetic acid;butanoic acid;propan-2-one
CID 88536932
2-methylpropanoic acid;propanoic acid;zirconium
CID 175540566
3-methylbutanoic acid
CID 20849036
azane;butanoic acid
CID 175057491
azane;butanoic acid
CID 173280540
butanoic acid;3-hydroxybutanoic acid
CID 131984541

Frequently Asked Questions

What is the IUPAC name of acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid?
The IUPAC name of acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid (CID 172836544) is acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid.
What is the SMILES notation for acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid?
The canonical SMILES for acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid is CC(=O)O.CC(C)C(=O)O.CC(C)CC(=O)O.CCC(=O)O.CCCC(=O)O.
What is the InChIKey of acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid?
The InChIKey is WFLNGOOSOSGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.2C4H8O2.C3H6O2.C2H4O2/c1-4(2)3-5(6)7;1-3(2)4(5)6;1-2-3-4(5)6;1-2-3(4)5;1-2(3)4/h4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,5,6);2-3H2,1H3,(H,5,6);2H2,1H3,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid?
acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid has a molecular weight of 412.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid is sourced from PubChem (CID 172836544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).