acetic acid;methanol

C21H44O21 — CID 173388753

IUPACacetic acid;methanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CO
InChIInChI=1S/10C2H4O2.CH4O/c10*1-2(3)4;1-2/h10*1H3,(H,3,4);2H,1H3
InChIKeyPFNVAKZBZAUCCT-UHFFFAOYSA-N
MW632.56 g/mol
LogP0.52
Rot. Bonds

About acetic acid;methanol

acetic acid;methanol (PubChem CID 173388753) has the molecular formula C21H44O21 and a molecular weight of 632.56 g/mol. Its IUPAC name is acetic acid;methanol.

Molecular Properties

Compound Nameacetic acid;methanol
PubChem CID173388753
Molecular FormulaC21H44O21
Molecular Weight632.56 g/mol
Exact Mass632.24
IUPAC Nameacetic acid;methanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CO
InChIInChI=1S/10C2H4O2.CH4O/c10*1-2(3)4;1-2/h10*1H3,(H,3,4);2H,1H3
InChIKeyPFNVAKZBZAUCCT-UHFFFAOYSA-N
XLogP0.52
TPSA393.23 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500632.56
LogP ≤ 50.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

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Related Compounds

acetic acid;gadolinium;hexahydrate
CID 174991979
acetic acid;methanol;titanium
CID 87908067
acetic acid
CID 158444727
acetic acid;stibane
CID 173054099
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;nickel(2+)
CID 22169473
acetic acid;cobalt
CID 59294242
acetic acid;tris(yttrium)
CID 59994727
acetic acid;germane
CID 174334920
acetic acid;ruthenium
CID 175502908

Frequently Asked Questions

What is the IUPAC name of acetic acid;methanol?
The IUPAC name of acetic acid;methanol (CID 173388753) is acetic acid;methanol.
What is the SMILES notation for acetic acid;methanol?
The canonical SMILES for acetic acid;methanol is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CO.
What is the InChIKey of acetic acid;methanol?
The InChIKey is PFNVAKZBZAUCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/10C2H4O2.CH4O/c10*1-2(3)4;1-2/h10*1H3,(H,3,4);2H,1H3.
What are the key properties of acetic acid;methanol?
acetic acid;methanol has a molecular weight of 632.56 g/mol, XLogP of 0.52, 0 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanol is sourced from PubChem (CID 173388753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).