acetic acid;butanoic acid

C10H20O6 — CID 87533224

IUPACacetic acid;butanoic acid
SMILESCC(=O)O.CCCC(=O)O.CCCC(=O)O
InChIInChI=1S/2C4H8O2.C2H4O2/c2*1-2-3-4(5)6;1-2(3)4/h2*2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyBTVGHQASHWCGHI-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.83
Rot. Bonds4

About acetic acid;butanoic acid

acetic acid;butanoic acid (PubChem CID 87533224) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is acetic acid;butanoic acid.

Molecular Properties

Compound Nameacetic acid;butanoic acid
PubChem CID87533224
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nameacetic acid;butanoic acid
SMILESCC(=O)O.CCCC(=O)O.CCCC(=O)O
InChIInChI=1S/2C4H8O2.C2H4O2/c2*1-2-3-4(5)6;1-2(3)4/h2*2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyBTVGHQASHWCGHI-UHFFFAOYSA-N
XLogP1.83
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;butanoic acid
CID 158263120
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 87533224) 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.CCCC(=O)O.CCCC(=O)O.
What is the InChIKey of acetic acid;butanoic acid?
The InChIKey is BTVGHQASHWCGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2.C2H4O2/c2*1-2-3-4(5)6;1-2(3)4/h2*2-3H2,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;butanoic acid?
acetic acid;butanoic acid has a molecular weight of 236.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butanoic acid is sourced from PubChem (CID 87533224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).