1-acetyloxypropyl 2-(oxolan-3-yl)acetate

C11H18O5 — CID 122538274

IUPAC1-acetyloxypropyl 2-(oxolan-3-yl)acetate
SMILESCCC(OC(C)=O)OC(=O)CC1CCOC1
InChIInChI=1S/C11H18O5/c1-3-11(15-8(2)12)16-10(13)6-9-4-5-14-7-9/h9,11H,3-7H2,1-2H3
InChIKeyJHXOQHMUVOBSQD-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.26
Rot. Bonds5

About 1-acetyloxypropyl 2-(oxolan-3-yl)acetate

1-acetyloxypropyl 2-(oxolan-3-yl)acetate (PubChem CID 122538274) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-acetyloxypropyl 2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Name1-acetyloxypropyl 2-(oxolan-3-yl)acetate
PubChem CID122538274
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-acetyloxypropyl 2-(oxolan-3-yl)acetate
SMILESCCC(OC(C)=O)OC(=O)CC1CCOC1
InChIInChI=1S/C11H18O5/c1-3-11(15-8(2)12)16-10(13)6-9-4-5-14-7-9/h9,11H,3-7H2,1-2H3
InChIKeyJHXOQHMUVOBSQD-UHFFFAOYSA-N
XLogP1.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyloxypropyl 2-(oxolan-3-yl)acetate?
The IUPAC name of 1-acetyloxypropyl 2-(oxolan-3-yl)acetate (CID 122538274) is 1-acetyloxypropyl 2-(oxolan-3-yl)acetate.
What is the SMILES notation for 1-acetyloxypropyl 2-(oxolan-3-yl)acetate?
The canonical SMILES for 1-acetyloxypropyl 2-(oxolan-3-yl)acetate is CCC(OC(C)=O)OC(=O)CC1CCOC1.
What is the InChIKey of 1-acetyloxypropyl 2-(oxolan-3-yl)acetate?
The InChIKey is JHXOQHMUVOBSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-3-11(15-8(2)12)16-10(13)6-9-4-5-14-7-9/h9,11H,3-7H2,1-2H3.
What are the key properties of 1-acetyloxypropyl 2-(oxolan-3-yl)acetate?
1-acetyloxypropyl 2-(oxolan-3-yl)acetate has a molecular weight of 230.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxypropyl 2-(oxolan-3-yl)acetate is sourced from PubChem (CID 122538274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).