(3R)-3-(2-oxobutyl)oxetan-2-one

C7H10O3 — CID 59097298

IUPAC(3R)-3-(2-oxobutyl)oxetan-2-one
SMILESCCC(=O)C[C@@H]1COC1=O
InChIInChI=1S/C7H10O3/c1-2-6(8)3-5-4-10-7(5)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyRKMUYHUIPBMIRG-RXMQYKEDSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds3

About (3R)-3-(2-oxobutyl)oxetan-2-one

(3R)-3-(2-oxobutyl)oxetan-2-one (PubChem CID 59097298) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3R)-3-(2-oxobutyl)oxetan-2-one.

Molecular Properties

Compound Name(3R)-3-(2-oxobutyl)oxetan-2-one
PubChem CID59097298
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3R)-3-(2-oxobutyl)oxetan-2-one
SMILESCCC(=O)C[C@@H]1COC1=O
InChIInChI=1S/C7H10O3/c1-2-6(8)3-5-4-10-7(5)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyRKMUYHUIPBMIRG-RXMQYKEDSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

(S)-4-isobutyl-2-oxetanone
CID 10374481
4-(2-Methylpropyl)oxetan-2-one
CID 15467448
3-Methyl-4-propyloxetan-2-one
CID 85279687
(3R,4R)-3-methyl-4-propyloxetan-2-one
CID 10820541
(4R)-4-(2-Methylpropyl)-2-oxetanone
CID 11434955
(3S)-3-butyloxetan-2-one
CID 11491937
Methyl 2-methyl-4-oxohexanoate
CID 12593956
3-Butyloxetan-2-one
CID 15416889
(3R)-3-butyloxetan-2-one
CID 15416890
4-Propanoyloxolan-2-one
CID 20555618
3-Methyl-3-(2-oxobutyl)oxetan-2-one
CID 20598396
Ethyl 2-methyl-3,4-dioxohexanoate
CID 54254302

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-oxobutyl)oxetan-2-one?
The IUPAC name of (3R)-3-(2-oxobutyl)oxetan-2-one (CID 59097298) is (3R)-3-(2-oxobutyl)oxetan-2-one.
What is the SMILES notation for (3R)-3-(2-oxobutyl)oxetan-2-one?
The canonical SMILES for (3R)-3-(2-oxobutyl)oxetan-2-one is CCC(=O)C[C@@H]1COC1=O.
What is the InChIKey of (3R)-3-(2-oxobutyl)oxetan-2-one?
The InChIKey is RKMUYHUIPBMIRG-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-6(8)3-5-4-10-7(5)9/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-(2-oxobutyl)oxetan-2-one?
(3R)-3-(2-oxobutyl)oxetan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-oxobutyl)oxetan-2-one is sourced from PubChem (CID 59097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).