acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one

C11H26O8 — CID 157259516

IUPACacetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one
SMILESCC(=O)O.CC(C)=O.CCOC.COC.O=C(O)O
InChIInChI=1S/C3H8O.C3H6O.C2H4O2.C2H6O.CH2O3/c1-3-4-2;1-3(2)4;1-2(3)4;1-3-2;2-1(3)4/h3H2,1-2H3;1-2H3;1H3,(H,3,4);1-2H3;(H2,2,3,4)
InChIKeyKFSZCUONOCVADS-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.82
Rot. Bonds1

About acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one

acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one (PubChem CID 157259516) has the molecular formula C11H26O8 and a molecular weight of 286.32 g/mol. Its IUPAC name is acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one.

Molecular Properties

Compound Nameacetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one
PubChem CID157259516
Molecular FormulaC11H26O8
Molecular Weight286.32 g/mol
Exact Mass286.16
IUPAC Nameacetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one
SMILESCC(=O)O.CC(C)=O.CCOC.COC.O=C(O)O
InChIInChI=1S/C3H8O.C3H6O.C2H4O2.C2H6O.CH2O3/c1-3-4-2;1-3(2)4;1-2(3)4;1-3-2;2-1(3)4/h3H2,1-2H3;1-2H3;1H3,(H,3,4);1-2H3;(H2,2,3,4)
InChIKeyKFSZCUONOCVADS-UHFFFAOYSA-N
XLogP1.82
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one?
The IUPAC name of acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one (CID 157259516) is acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one.
What is the SMILES notation for acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one?
The canonical SMILES for acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one is CC(=O)O.CC(C)=O.CCOC.COC.O=C(O)O.
What is the InChIKey of acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one?
The InChIKey is KFSZCUONOCVADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C3H6O.C2H4O2.C2H6O.CH2O3/c1-3-4-2;1-3(2)4;1-2(3)4;1-3-2;2-1(3)4/h3H2,1-2H3;1-2H3;1H3,(H,3,4);1-2H3;(H2,2,3,4).
What are the key properties of acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one?
acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one has a molecular weight of 286.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one is sourced from PubChem (CID 157259516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).