ethane-1,2-diol;methoxymethane;pentan-3-one

C9H22O4 — CID 87877053

IUPACethane-1,2-diol;methoxymethane;pentan-3-one
SMILESCCC(=O)CC.COC.OCCO
InChIInChI=1S/C5H10O.C2H6O2.C2H6O/c1-3-5(6)4-2;3-1-2-4;1-3-2/h3-4H2,1-2H3;3-4H,1-2H2;1-2H3
InChIKeyLMLJQIRWNJGJAS-UHFFFAOYSA-N
MW194.27 g/mol
LogP0.61
Rot. Bonds3

About ethane-1,2-diol;methoxymethane;pentan-3-one

ethane-1,2-diol;methoxymethane;pentan-3-one (PubChem CID 87877053) has the molecular formula C9H22O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethane-1,2-diol;methoxymethane;pentan-3-one.

Molecular Properties

Compound Nameethane-1,2-diol;methoxymethane;pentan-3-one
PubChem CID87877053
Molecular FormulaC9H22O4
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Nameethane-1,2-diol;methoxymethane;pentan-3-one
SMILESCCC(=O)CC.COC.OCCO
InChIInChI=1S/C5H10O.C2H6O2.C2H6O/c1-3-5(6)4-2;3-1-2-4;1-3-2/h3-4H2,1-2H3;3-4H,1-2H2;1-2H3
InChIKeyLMLJQIRWNJGJAS-UHFFFAOYSA-N
XLogP0.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methoxymethane;pentan-3-one?
The IUPAC name of ethane-1,2-diol;methoxymethane;pentan-3-one (CID 87877053) is ethane-1,2-diol;methoxymethane;pentan-3-one.
What is the SMILES notation for ethane-1,2-diol;methoxymethane;pentan-3-one?
The canonical SMILES for ethane-1,2-diol;methoxymethane;pentan-3-one is CCC(=O)CC.COC.OCCO.
What is the InChIKey of ethane-1,2-diol;methoxymethane;pentan-3-one?
The InChIKey is LMLJQIRWNJGJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C2H6O2.C2H6O/c1-3-5(6)4-2;3-1-2-4;1-3-2/h3-4H2,1-2H3;3-4H,1-2H2;1-2H3.
What are the key properties of ethane-1,2-diol;methoxymethane;pentan-3-one?
ethane-1,2-diol;methoxymethane;pentan-3-one has a molecular weight of 194.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methoxymethane;pentan-3-one is sourced from PubChem (CID 87877053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).