acetic acid;ethane

C8H18O6 — CID 173070051

IUPACacetic acid;ethane
SMILESCC.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/3C2H4O2.C2H6/c3*1-2(3)4;1-2/h3*1H3,(H,3,4);1-2H3
InChIKeyQDVWFJPMNPVGDL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.30
Rot. Bonds

About acetic acid;ethane

acetic acid;ethane (PubChem CID 173070051) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is acetic acid;ethane.

Molecular Properties

Compound Nameacetic acid;ethane
PubChem CID173070051
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Nameacetic acid;ethane
SMILESCC.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/3C2H4O2.C2H6/c3*1-2(3)4;1-2/h3*1H3,(H,3,4);1-2H3
InChIKeyQDVWFJPMNPVGDL-UHFFFAOYSA-N
XLogP1.30
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173144363
acetic acid;carbonic acid;ethane
CID 87357637
acetic acid
CID 158444727
acetic acid;lanthanum
CID 4570825
acetic acid;trihydrobromide
CID 172754955
acetic acid;iridium
CID 174174414
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;cobalt
CID 54602348
acetic acid;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane?
The IUPAC name of acetic acid;ethane (CID 173070051) is acetic acid;ethane.
What is the SMILES notation for acetic acid;ethane?
The canonical SMILES for acetic acid;ethane is CC.CC(=O)O.CC(=O)O.CC(=O)O.
What is the InChIKey of acetic acid;ethane?
The InChIKey is QDVWFJPMNPVGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O2.C2H6/c3*1-2(3)4;1-2/h3*1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;ethane?
acetic acid;ethane has a molecular weight of 210.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane is sourced from PubChem (CID 173070051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).