2-methoxyethanol;propan-2-one

C6H14O3 — CID 18314300

IUPAC2-methoxyethanol;propan-2-one
SMILESCC(C)=O.COCCO
InChIInChI=1S/C3H8O2.C3H6O/c1-5-3-2-4;1-3(2)4/h4H,2-3H2,1H3;1-2H3
InChIKeyOYSSPOHBFDEVFV-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.22
Rot. Bonds2

About 2-methoxyethanol;propan-2-one

2-methoxyethanol;propan-2-one (PubChem CID 18314300) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methoxyethanol;propan-2-one.

Molecular Properties

Compound Name2-methoxyethanol;propan-2-one
PubChem CID18314300
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name2-methoxyethanol;propan-2-one
SMILESCC(C)=O.COCCO
InChIInChI=1S/C3H8O2.C3H6O/c1-5-3-2-4;1-3(2)4/h4H,2-3H2,1H3;1-2H3
InChIKeyOYSSPOHBFDEVFV-UHFFFAOYSA-N
XLogP0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-2-propanol
CID 7900
(R)-(-)-1-Methoxy-2-propanol
CID 2733589
(2S)-1-methoxypropan-2-ol
CID 6993459
2-Propanone, 1-(2-hydroxyethoxy)-
CID 13593982
CID 134971050
CID 134971050
1-Methoxypropan-2-ol;hydrate
CID 18458357
Ethane-1,2-diol;propan-2-one
CID 18795199
2-Ethoxyethanol;propan-2-one
CID 21421298
1-methoxy(114C)propan-2-ol
CID 57090723
1-(Deuteriomethoxy)propan-2-ol
CID 59895561
Methylethylketone Ethylene Glycol
CID 86639476
Butane-2,3-dione;ethane-1,2-diol
CID 87312278

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;propan-2-one?
The IUPAC name of 2-methoxyethanol;propan-2-one (CID 18314300) is 2-methoxyethanol;propan-2-one.
What is the SMILES notation for 2-methoxyethanol;propan-2-one?
The canonical SMILES for 2-methoxyethanol;propan-2-one is CC(C)=O.COCCO.
What is the InChIKey of 2-methoxyethanol;propan-2-one?
The InChIKey is OYSSPOHBFDEVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H6O/c1-5-3-2-4;1-3(2)4/h4H,2-3H2,1H3;1-2H3.
What are the key properties of 2-methoxyethanol;propan-2-one?
2-methoxyethanol;propan-2-one has a molecular weight of 134.18 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;propan-2-one is sourced from PubChem (CID 18314300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).