2-methoxyethanol;pentan-2-one

C8H18O3 — CID 174873193

IUPAC2-methoxyethanol;pentan-2-one
SMILESCCCC(C)=O.COCCO
InChIInChI=1S/C5H10O.C3H8O2/c1-3-4-5(2)6;1-5-3-2-4/h3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyIIXBLAUDFRPASV-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.00
Rot. Bonds4

About 2-methoxyethanol;pentan-2-one

2-methoxyethanol;pentan-2-one (PubChem CID 174873193) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methoxyethanol;pentan-2-one.

Molecular Properties

Compound Name2-methoxyethanol;pentan-2-one
PubChem CID174873193
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-methoxyethanol;pentan-2-one
SMILESCCCC(C)=O.COCCO
InChIInChI=1S/C5H10O.C3H8O2/c1-3-4-5(2)6;1-5-3-2-4/h3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyIIXBLAUDFRPASV-UHFFFAOYSA-N
XLogP1.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;pentan-2-one?
The IUPAC name of 2-methoxyethanol;pentan-2-one (CID 174873193) is 2-methoxyethanol;pentan-2-one.
What is the SMILES notation for 2-methoxyethanol;pentan-2-one?
The canonical SMILES for 2-methoxyethanol;pentan-2-one is CCCC(C)=O.COCCO.
What is the InChIKey of 2-methoxyethanol;pentan-2-one?
The InChIKey is IIXBLAUDFRPASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H8O2/c1-3-4-5(2)6;1-5-3-2-4/h3-4H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 2-methoxyethanol;pentan-2-one?
2-methoxyethanol;pentan-2-one has a molecular weight of 162.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;pentan-2-one is sourced from PubChem (CID 174873193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).