3-(3-ethoxy-2-hydroxypropyl)oxan-4-one

C10H18O4 — CID 106468905

IUPAC3-(3-ethoxy-2-hydroxypropyl)oxan-4-one
SMILESCCOCC(O)CC1COCCC1=O
InChIInChI=1S/C10H18O4/c1-2-13-7-9(11)5-8-6-14-4-3-10(8)12/h8-9,11H,2-7H2,1H3
InChIKeyFCYMDKZZWZWHKB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.38
Rot. Bonds5

About 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one

3-(3-ethoxy-2-hydroxypropyl)oxan-4-one (PubChem CID 106468905) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one.

Molecular Properties

Compound Name3-(3-ethoxy-2-hydroxypropyl)oxan-4-one
PubChem CID106468905
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-(3-ethoxy-2-hydroxypropyl)oxan-4-one
SMILESCCOCC(O)CC1COCCC1=O
InChIInChI=1S/C10H18O4/c1-2-13-7-9(11)5-8-6-14-4-3-10(8)12/h8-9,11H,2-7H2,1H3
InChIKeyFCYMDKZZWZWHKB-UHFFFAOYSA-N
XLogP0.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one?
The IUPAC name of 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one (CID 106468905) is 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one.
What is the SMILES notation for 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one?
The canonical SMILES for 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one is CCOCC(O)CC1COCCC1=O.
What is the InChIKey of 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one?
The InChIKey is FCYMDKZZWZWHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-13-7-9(11)5-8-6-14-4-3-10(8)12/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one?
3-(3-ethoxy-2-hydroxypropyl)oxan-4-one has a molecular weight of 202.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-hydroxypropyl)oxan-4-one is sourced from PubChem (CID 106468905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).