1-ethoxypropan-2-ol;pentan-3-one

C10H22O3 — CID 162258913

IUPAC1-ethoxypropan-2-ol;pentan-3-one
SMILESCCC(=O)CC.CCOCC(C)O
InChIInChI=1S/C5H12O2.C5H10O/c1-3-7-4-5(2)6;1-3-5(6)4-2/h5-6H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyZYYUXZGKINRMRK-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.78
Rot. Bonds5

About 1-ethoxypropan-2-ol;pentan-3-one

1-ethoxypropan-2-ol;pentan-3-one (PubChem CID 162258913) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;pentan-3-one.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;pentan-3-one
PubChem CID162258913
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-ethoxypropan-2-ol;pentan-3-one
SMILESCCC(=O)CC.CCOCC(C)O
InChIInChI=1S/C5H12O2.C5H10O/c1-3-7-4-5(2)6;1-3-5(6)4-2/h5-6H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyZYYUXZGKINRMRK-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butan-2-one;methanol;1-methoxypropan-2-ol
CID 17961602
2-(2-Hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-Ethoxyethanol;propan-2-one
CID 21421298
Butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 21425085
2-{2-[(Pentan-3-yl)oxy]ethoxy}ethan-1-ol
CID 21999860
1-Ethoxypropan-2-ol;4-methylpentan-2-one
CID 87070394
4-Methylpentan-2-one;1-propoxypropan-2-ol
CID 87072232
Butan-2-one;ethane-1,2-diol;ethoxyethane
CID 87377509
Butane-2,3-dione;ethane-1,2-diol;ethoxyethane
CID 87443771
1-Methoxypropan-2-ol;propan-2-one
CID 87509433
1-Pentan-3-yloxypropan-2-ol
CID 87672793
Butane-2,3-dione;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87864998

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;pentan-3-one?
The IUPAC name of 1-ethoxypropan-2-ol;pentan-3-one (CID 162258913) is 1-ethoxypropan-2-ol;pentan-3-one.
What is the SMILES notation for 1-ethoxypropan-2-ol;pentan-3-one?
The canonical SMILES for 1-ethoxypropan-2-ol;pentan-3-one is CCC(=O)CC.CCOCC(C)O.
What is the InChIKey of 1-ethoxypropan-2-ol;pentan-3-one?
The InChIKey is ZYYUXZGKINRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C5H10O/c1-3-7-4-5(2)6;1-3-5(6)4-2/h5-6H,3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;pentan-3-one?
1-ethoxypropan-2-ol;pentan-3-one has a molecular weight of 190.28 g/mol, XLogP of 1.78, 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;pentan-3-one is sourced from PubChem (CID 162258913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).