(4S)-4-propan-2-yloxetan-2-one

C6H10O2 — CID 11126218

IUPAC(4S)-4-propan-2-yloxetan-2-one
SMILESCC(C)[C@@H]1CC(=O)O1
InChIInChI=1S/C6H10O2/c1-4(2)5-3-6(7)8-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyRXDIFCRJKDATEB-YFKPBYRVSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds1

About (4S)-4-propan-2-yloxetan-2-one

(4S)-4-propan-2-yloxetan-2-one (PubChem CID 11126218) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (4S)-4-propan-2-yloxetan-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yloxetan-2-one
PubChem CID11126218
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(4S)-4-propan-2-yloxetan-2-one
SMILESCC(C)[C@@H]1CC(=O)O1
InChIInChI=1S/C6H10O2/c1-4(2)5-3-6(7)8-5/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyRXDIFCRJKDATEB-YFKPBYRVSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,6R)-4,6-di(propan-2-yl)-1,3-dioxan-2-one
CID 59787451
4-(1-bromopropyl)oxetan-2-one
CID 14765475
4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
CID 155596266
4-(4-propan-2-ylcyclohexyl)oxetan-2-one
CID 143582877
3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
(4R,5S,6R)-4-hydroxy-5-methyl-6-propan-2-yloxan-2-one
CID 11105821
(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10419568
5-(1-iodoethyl)oxolan-2-one
CID 101198694
4-propan-2-yl-5-propyloxolan-2-one
CID 86109593
4-(4-hydroxy-2-oxopentoxy)-5-methylhexan-2-one;4-methyloxetan-2-one;4-propan-2-yloxetan-2-one
CID 158857276
(4R)-4-ethyloxetan-2-one
CID 14325240
6-propan-2-yloxazinan-3-one
CID 142623105

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yloxetan-2-one?
The IUPAC name of (4S)-4-propan-2-yloxetan-2-one (CID 11126218) is (4S)-4-propan-2-yloxetan-2-one.
What is the SMILES notation for (4S)-4-propan-2-yloxetan-2-one?
The canonical SMILES for (4S)-4-propan-2-yloxetan-2-one is CC(C)[C@@H]1CC(=O)O1.
What is the InChIKey of (4S)-4-propan-2-yloxetan-2-one?
The InChIKey is RXDIFCRJKDATEB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(2)5-3-6(7)8-5/h4-5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (4S)-4-propan-2-yloxetan-2-one?
(4S)-4-propan-2-yloxetan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yloxetan-2-one is sourced from PubChem (CID 11126218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).