5-(3-oxooxolan-2-yl)oxolan-2-one

C8H10O4 — CID 70156376

IUPAC5-(3-oxooxolan-2-yl)oxolan-2-one
SMILESO=C1CCC(C2OCCC2=O)O1
InChIInChI=1S/C8H10O4/c9-5-3-4-11-8(5)6-1-2-7(10)12-6/h6,8H,1-4H2
InChIKeyDCLPYWKTOWHXLW-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.05
Rot. Bonds1

About 5-(3-oxooxolan-2-yl)oxolan-2-one

5-(3-oxooxolan-2-yl)oxolan-2-one (PubChem CID 70156376) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-(3-oxooxolan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(3-oxooxolan-2-yl)oxolan-2-one
PubChem CID70156376
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-(3-oxooxolan-2-yl)oxolan-2-one
SMILESO=C1CCC(C2OCCC2=O)O1
InChIInChI=1S/C8H10O4/c9-5-3-4-11-8(5)6-1-2-7(10)12-6/h6,8H,1-4H2
InChIKeyDCLPYWKTOWHXLW-UHFFFAOYSA-N
XLogP0.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-oxocyclopentyl)oxolan-2-one
CID 58454728
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 38988932
(4aR,6R,8aS)-6-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 102238338
(4aR,7S,8aR)-7-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 54771683
5-methyloxolan-2-one
CID 69397003
2-[4-(4-oxo-1,3-dioxan-2-yl)phenyl]-1,3-dioxan-4-one
CID 67877936
7-methyl-6-(7-oxooxepan-2-yl)-1,4-dioxepan-5-one
CID 67063189
(3aS,7aS)-3,3a,4,5,6,7a-hexahydro-1-benzofuran-2,7-dione
CID 131019876
2-aminooxolan-3-one
CID 70105580
5-iodooxolan-2-one
CID 89119315
3-(oxan-2-yl)oxiran-2-one
CID 173079645
(5R,6S)-5-iodo-6-methyloxan-2-one
CID 134865447

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxooxolan-2-yl)oxolan-2-one?
The IUPAC name of 5-(3-oxooxolan-2-yl)oxolan-2-one (CID 70156376) is 5-(3-oxooxolan-2-yl)oxolan-2-one.
What is the SMILES notation for 5-(3-oxooxolan-2-yl)oxolan-2-one?
The canonical SMILES for 5-(3-oxooxolan-2-yl)oxolan-2-one is O=C1CCC(C2OCCC2=O)O1.
What is the InChIKey of 5-(3-oxooxolan-2-yl)oxolan-2-one?
The InChIKey is DCLPYWKTOWHXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-5-3-4-11-8(5)6-1-2-7(10)12-6/h6,8H,1-4H2.
What are the key properties of 5-(3-oxooxolan-2-yl)oxolan-2-one?
5-(3-oxooxolan-2-yl)oxolan-2-one has a molecular weight of 170.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxooxolan-2-yl)oxolan-2-one is sourced from PubChem (CID 70156376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).