ethane-1,2-diol;bis(propan-2-one)

C8H18O4 — CID 18674861

IUPACethane-1,2-diol;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.OCCO
InChIInChI=1S/2C3H6O.C2H6O2/c2*1-3(2)4;3-1-2-4/h2*1-2H3;3-4H,1-2H2
InChIKeyRRBYHRKWHLGQLP-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.16
Rot. Bonds1

About ethane-1,2-diol;bis(propan-2-one)

ethane-1,2-diol;bis(propan-2-one) (PubChem CID 18674861) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane-1,2-diol;bis(propan-2-one).

Molecular Properties

Compound Nameethane-1,2-diol;bis(propan-2-one)
PubChem CID18674861
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Nameethane-1,2-diol;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.OCCO
InChIInChI=1S/2C3H6O.C2H6O2/c2*1-3(2)4;3-1-2-4/h2*1-2H3;3-4H,1-2H2
InChIKeyRRBYHRKWHLGQLP-UHFFFAOYSA-N
XLogP0.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Butan-2-one;methanol;1-methoxypropan-2-ol
CID 17961602
Ethane-1,2-diol;propan-2-one
CID 18795199
Ethanol;bis(propan-2-one)
CID 19010168
Methoxymethane;propane-1,2-diol;propan-2-one
CID 19063264
Propan-2-ol;bis(propan-2-one)
CID 19101461
Ethanol;tetrakis(propan-2-one)
CID 19429959
Ethanol;bis(propan-2-one);hydrate
CID 20471278
Butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 21425085
Ethanol;methanol;propan-2-one
CID 22056824
Methanol;bis(propan-2-one);hydrate
CID 22666161
Ethanol;propan-2-ol;propan-2-one
CID 22762431
Ethanol;propan-2-one
CID 57421514

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;bis(propan-2-one)?
The IUPAC name of ethane-1,2-diol;bis(propan-2-one) (CID 18674861) is ethane-1,2-diol;bis(propan-2-one).
What is the SMILES notation for ethane-1,2-diol;bis(propan-2-one)?
The canonical SMILES for ethane-1,2-diol;bis(propan-2-one) is CC(C)=O.CC(C)=O.OCCO.
What is the InChIKey of ethane-1,2-diol;bis(propan-2-one)?
The InChIKey is RRBYHRKWHLGQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O.C2H6O2/c2*1-3(2)4;3-1-2-4/h2*1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(propan-2-one)?
ethane-1,2-diol;bis(propan-2-one) has a molecular weight of 178.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(propan-2-one) is sourced from PubChem (CID 18674861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).