3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one

C10H20O4 — CID 89154446

IUPAC3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one
SMILESCCOC(C(C)=O)C(C)OCC(C)O
InChIInChI=1S/C10H20O4/c1-5-13-10(8(3)12)9(4)14-6-7(2)11/h7,9-11H,5-6H2,1-4H3
InChIKeyWGZNDRSZMQFWEY-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.77
Rot. Bonds7

About 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one

3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one (PubChem CID 89154446) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one.

Molecular Properties

Compound Name3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one
PubChem CID89154446
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one
SMILESCCOC(C(C)=O)C(C)OCC(C)O
InChIInChI=1S/C10H20O4/c1-5-13-10(8(3)12)9(4)14-6-7(2)11/h7,9-11H,5-6H2,1-4H3
InChIKeyWGZNDRSZMQFWEY-UHFFFAOYSA-N
XLogP0.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxypropoxy)hexan-3-ol
CID 22507183
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-ethoxypropoxy)propyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 158412024
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
acetamide;1-ethoxyethanol
CID 175470032
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
2-ethoxy-3-methylbutanoate
CID 23183641
ethanol;2-hydroxypropyl acetate
CID 88717262
ethoxyethane;ethyl acetate;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87173315
4-ethoxy-5-methyloctan-3-one
CID 83225739
bis(butan-2-ol);ethyl acetate
CID 139558654
2-hydroxypropyl acetate;mercury
CID 174858394

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one?
The IUPAC name of 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one (CID 89154446) is 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one.
What is the SMILES notation for 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one?
The canonical SMILES for 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one is CCOC(C(C)=O)C(C)OCC(C)O.
What is the InChIKey of 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one?
The InChIKey is WGZNDRSZMQFWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-13-10(8(3)12)9(4)14-6-7(2)11/h7,9-11H,5-6H2,1-4H3.
What are the key properties of 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one?
3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one has a molecular weight of 204.27 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one is sourced from PubChem (CID 89154446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).