5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one

C14H22O4 — CID 75984396

IUPAC5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(C2CC(C(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C14H22O4/c1-7(2)9-5-11(17-13(9)15)12-6-10(8(3)4)14(16)18-12/h7-12H,5-6H2,1-4H3
InChIKeyXAOINDOYWDHXJT-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.16
Rot. Bonds3

About 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one

5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one (PubChem CID 75984396) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one
PubChem CID75984396
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(C2CC(C(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C14H22O4/c1-7(2)9-5-11(17-13(9)15)12-6-10(8(3)4)14(16)18-12/h7-12H,5-6H2,1-4H3
InChIKeyXAOINDOYWDHXJT-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
5-methyl-3-propan-2-yloxolan-2-one
CID 29717
7-methyl-3,9-di(propan-2-yl)-4,4a,5,6,7,9,10,10a-octahydro-3H-cycloocta[b]pyran-2,8-dione
CID 123164680
(2S,4S)-5-oxo-4-propan-2-yloxolane-2-carbonitrile
CID 66617471
5-oxo-4-propan-2-yloxolane-2-carbonyl chloride
CID 72800701
(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 66645583
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
CID 11138067
6-propan-2-yl-2-oxabicyclo[2.2.1]heptan-3-one
CID 91189657
(3S,5S)-5-[(1S)-1-azido-3-methylbutyl]-3-propan-2-yloxolan-2-one
CID 10399353
benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
CID 16665734
[(1R)-3-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]butyl] methanesulfonate
CID 10402092
(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 14411946

Frequently Asked Questions

What is the IUPAC name of 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one?
The IUPAC name of 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one (CID 75984396) is 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one?
The canonical SMILES for 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one is CC(C)C1CC(C2CC(C(C)C)C(=O)O2)OC1=O.
What is the InChIKey of 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one?
The InChIKey is XAOINDOYWDHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-7(2)9-5-11(17-13(9)15)12-6-10(8(3)4)14(16)18-12/h7-12H,5-6H2,1-4H3.
What are the key properties of 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one?
5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 75984396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).