ethane-1,2-diol;propan-2-ol;propan-2-one

C8H20O4 — CID 129307519

IUPACethane-1,2-diol;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.OCCO
InChIInChI=1S/C3H8O.C3H6O.C2H6O2/c2*1-3(2)4;3-1-2-4/h3-4H,1-2H3;1-2H3;3-4H,1-2H2
InChIKeyBCZMAPGRGPNJKX-UHFFFAOYSA-N
MW180.24 g/mol
LogP-0.05
Rot. Bonds1

About ethane-1,2-diol;propan-2-ol;propan-2-one

ethane-1,2-diol;propan-2-ol;propan-2-one (PubChem CID 129307519) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is ethane-1,2-diol;propan-2-ol;propan-2-one.

Molecular Properties

Compound Nameethane-1,2-diol;propan-2-ol;propan-2-one
PubChem CID129307519
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Nameethane-1,2-diol;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.OCCO
InChIInChI=1S/C3H8O.C3H6O.C2H6O2/c2*1-3(2)4;3-1-2-4/h3-4H,1-2H3;1-2H3;3-4H,1-2H2
InChIKeyBCZMAPGRGPNJKX-UHFFFAOYSA-N
XLogP-0.05
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;propan-2-ol;propan-2-one?
The IUPAC name of ethane-1,2-diol;propan-2-ol;propan-2-one (CID 129307519) is ethane-1,2-diol;propan-2-ol;propan-2-one.
What is the SMILES notation for ethane-1,2-diol;propan-2-ol;propan-2-one?
The canonical SMILES for ethane-1,2-diol;propan-2-ol;propan-2-one is CC(C)=O.CC(C)O.OCCO.
What is the InChIKey of ethane-1,2-diol;propan-2-ol;propan-2-one?
The InChIKey is BCZMAPGRGPNJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C3H6O.C2H6O2/c2*1-3(2)4;3-1-2-4/h3-4H,1-2H3;1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;propan-2-ol;propan-2-one?
ethane-1,2-diol;propan-2-ol;propan-2-one has a molecular weight of 180.24 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;propan-2-ol;propan-2-one is sourced from PubChem (CID 129307519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).