acetic acid;butanoic acid;cyclohexane

C12H24O4 — CID 69297326

IUPACacetic acid;butanoic acid;cyclohexane
SMILESC1CCCCC1.CC(=O)O.CCCC(=O)O
InChIInChI=1S/C6H12.C4H8O2.C2H4O2/c1-2-4-6-5-3-1;1-2-3-4(5)6;1-2(3)4/h1-6H2;2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyVSRIXKNIAULWKD-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.30
Rot. Bonds2

About acetic acid;butanoic acid;cyclohexane

acetic acid;butanoic acid;cyclohexane (PubChem CID 69297326) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is acetic acid;butanoic acid;cyclohexane.

Molecular Properties

Compound Nameacetic acid;butanoic acid;cyclohexane
PubChem CID69297326
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nameacetic acid;butanoic acid;cyclohexane
SMILESC1CCCCC1.CC(=O)O.CCCC(=O)O
InChIInChI=1S/C6H12.C4H8O2.C2H4O2/c1-2-4-6-5-3-1;1-2-3-4(5)6;1-2(3)4/h1-6H2;2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyVSRIXKNIAULWKD-UHFFFAOYSA-N
XLogP3.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175897781
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butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
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CID 173423767
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CID 88777452

Frequently Asked Questions

What is the IUPAC name of acetic acid;butanoic acid;cyclohexane?
The IUPAC name of acetic acid;butanoic acid;cyclohexane (CID 69297326) is acetic acid;butanoic acid;cyclohexane.
What is the SMILES notation for acetic acid;butanoic acid;cyclohexane?
The canonical SMILES for acetic acid;butanoic acid;cyclohexane is C1CCCCC1.CC(=O)O.CCCC(=O)O.
What is the InChIKey of acetic acid;butanoic acid;cyclohexane?
The InChIKey is VSRIXKNIAULWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8O2.C2H4O2/c1-2-4-6-5-3-1;1-2-3-4(5)6;1-2(3)4/h1-6H2;2-3H2,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;butanoic acid;cyclohexane?
acetic acid;butanoic acid;cyclohexane has a molecular weight of 232.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butanoic acid;cyclohexane is sourced from PubChem (CID 69297326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).