1-ethoxypropan-2-ol;4-methylpentan-2-one

C11H24O3 — CID 87070394

IUPAC1-ethoxypropan-2-ol;4-methylpentan-2-one
SMILESCC(=O)CC(C)C.CCOCC(C)O
InChIInChI=1S/C6H12O.C5H12O2/c1-5(2)4-6(3)7;1-3-7-4-5(2)6/h5H,4H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyZDWKBSGPJXTVRI-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.03
Rot. Bonds5

About 1-ethoxypropan-2-ol;4-methylpentan-2-one

1-ethoxypropan-2-ol;4-methylpentan-2-one (PubChem CID 87070394) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;4-methylpentan-2-one.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;4-methylpentan-2-one
PubChem CID87070394
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name1-ethoxypropan-2-ol;4-methylpentan-2-one
SMILESCC(=O)CC(C)C.CCOCC(C)O
InChIInChI=1S/C6H12O.C5H12O2/c1-5(2)4-6(3)7;1-3-7-4-5(2)6/h5H,4H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyZDWKBSGPJXTVRI-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;4-methylpentan-2-one?
The IUPAC name of 1-ethoxypropan-2-ol;4-methylpentan-2-one (CID 87070394) is 1-ethoxypropan-2-ol;4-methylpentan-2-one.
What is the SMILES notation for 1-ethoxypropan-2-ol;4-methylpentan-2-one?
The canonical SMILES for 1-ethoxypropan-2-ol;4-methylpentan-2-one is CC(=O)CC(C)C.CCOCC(C)O.
What is the InChIKey of 1-ethoxypropan-2-ol;4-methylpentan-2-one?
The InChIKey is ZDWKBSGPJXTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H12O2/c1-5(2)4-6(3)7;1-3-7-4-5(2)6/h5H,4H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;4-methylpentan-2-one?
1-ethoxypropan-2-ol;4-methylpentan-2-one has a molecular weight of 204.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ol;4-methylpentan-2-one is sourced from PubChem (CID 87070394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).