acetic acid;ethane

C20H44O16 — CID 173226324

IUPACacetic acid;ethane
SMILESCC.CC.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/8C2H4O2.2C2H6/c8*1-2(3)4;2*1-2/h8*1H3,(H,3,4);2*1-2H3
InChIKeyPPMIPRYOALVXEV-UHFFFAOYSA-N
MW540.56 g/mol
LogP2.78
Rot. Bonds

About acetic acid;ethane

acetic acid;ethane (PubChem CID 173226324) has the molecular formula C20H44O16 and a molecular weight of 540.56 g/mol. Its IUPAC name is acetic acid;ethane.

Molecular Properties

Compound Nameacetic acid;ethane
PubChem CID173226324
Molecular FormulaC20H44O16
Molecular Weight540.56 g/mol
Exact Mass540.26
IUPAC Nameacetic acid;ethane
SMILESCC.CC.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O
InChIInChI=1S/8C2H4O2.2C2H6/c8*1-2(3)4;2*1-2/h8*1H3,(H,3,4);2*1-2H3
InChIKeyPPMIPRYOALVXEV-UHFFFAOYSA-N
XLogP2.78
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.56
LogP ≤ 52.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

acetic acid;ethane
CID 173070051
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;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane?
The IUPAC name of acetic acid;ethane (CID 173226324) is acetic acid;ethane.
What is the SMILES notation for acetic acid;ethane?
The canonical SMILES for acetic acid;ethane is CC.CC.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.
What is the InChIKey of acetic acid;ethane?
The InChIKey is PPMIPRYOALVXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/8C2H4O2.2C2H6/c8*1-2(3)4;2*1-2/h8*1H3,(H,3,4);2*1-2H3.
What are the key properties of acetic acid;ethane?
acetic acid;ethane has a molecular weight of 540.56 g/mol, XLogP of 2.78, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane is sourced from PubChem (CID 173226324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).