4-propan-2-yloxyoxolan-2-one

C7H12O3 — CID 12027758

IUPAC4-propan-2-yloxyoxolan-2-one
SMILESCC(C)OC1COC(=O)C1
InChIInChI=1S/C7H12O3/c1-5(2)10-6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3
InChIKeyLMAGQEREDLYOTD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About 4-propan-2-yloxyoxolan-2-one

4-propan-2-yloxyoxolan-2-one (PubChem CID 12027758) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-propan-2-yloxyoxolan-2-one.

Molecular Properties

Compound Name4-propan-2-yloxyoxolan-2-one
PubChem CID12027758
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4-propan-2-yloxyoxolan-2-one
SMILESCC(C)OC1COC(=O)C1
InChIInChI=1S/C7H12O3/c1-5(2)10-6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3
InChIKeyLMAGQEREDLYOTD-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+)-Diacetyl-L-tartaric anhydride
CID 513914
Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 361323
(+)-O-Acetyl-D-malic Anhydride
CID 9815264
(3S)-2,5-dioxooxolan-3-yl acetate
CID 11126528
2,5-Dioxooxolane-3,4-diyl diacetate
CID 95411
3-Acetoxytetrahydrofuran
CID 9920394
Diacetyltartaric anhydride, D-
CID 12731855
2-Oxotetrahydrofuran-3,4-diyl diacetate
CID 66563672
(S)-3-Acetoxy-gamma-butyrolactone
CID 2734004
2,5-Dioxooxolan-3-yl acetate
CID 539491
Methyl (4S)-(+)-2,2-dimethyl-1,3-dioxolane-4-acetate
CID 2733885
[(3R)-5-oxotetrahydrofuran-3-yl] acetate
CID 9877398

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxyoxolan-2-one?
The IUPAC name of 4-propan-2-yloxyoxolan-2-one (CID 12027758) is 4-propan-2-yloxyoxolan-2-one.
What is the SMILES notation for 4-propan-2-yloxyoxolan-2-one?
The canonical SMILES for 4-propan-2-yloxyoxolan-2-one is CC(C)OC1COC(=O)C1.
What is the InChIKey of 4-propan-2-yloxyoxolan-2-one?
The InChIKey is LMAGQEREDLYOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(2)10-6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yloxyoxolan-2-one?
4-propan-2-yloxyoxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxyoxolan-2-one is sourced from PubChem (CID 12027758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).