(3S)-3-ethyl-3-methyloxetan-2-one

C6H10O2 — CID 102402061

IUPAC(3S)-3-ethyl-3-methyloxetan-2-one
SMILESCC[C@@]1(C)COC1=O
InChIInChI=1S/C6H10O2/c1-3-6(2)4-8-5(6)7/h3-4H2,1-2H3/t6-/m0/s1
InChIKeyUFTRVHTYHBMWOF-LURJTMIESA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds1

About (3S)-3-ethyl-3-methyloxetan-2-one

(3S)-3-ethyl-3-methyloxetan-2-one (PubChem CID 102402061) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3S)-3-ethyl-3-methyloxetan-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-3-methyloxetan-2-one
PubChem CID102402061
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3S)-3-ethyl-3-methyloxetan-2-one
SMILESCC[C@@]1(C)COC1=O
InChIInChI=1S/C6H10O2/c1-3-6(2)4-8-5(6)7/h3-4H2,1-2H3/t6-/m0/s1
InChIKeyUFTRVHTYHBMWOF-LURJTMIESA-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

4-ethyl-4-methyloxolane-2,3-dione
CID 12948839
3-ethyl-3,4-dimethyl-2H-pyran-6-one
CID 12872506
(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
CID 42303356
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione
CID 20734602
3,5-diethyl-3,5-dimethyloxolan-2-one
CID 14640406
3,5,5-triethyl-3-methyloxolan-2-one
CID 123494299
3-ethyl-3-methyloxolan-2-one;3-methylideneoxolan-2-one
CID 158117388
2-cyclohexyl-5-ethyl-5-methyl-1,3-dioxan-4-one
CID 158347322
4,4,7,7-tetraethyl-2,9-dioxadispiro[4.0.46.45]tetradecane-1,10-dione
CID 58711103
3,3-diethyl-5,5-dimethyl-4-(methylamino)morpholin-2-one
CID 142036948
3,3-diethyl-4-methoxy-5,5-dimethylmorpholin-2-one
CID 89305156

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-3-methyloxetan-2-one?
The IUPAC name of (3S)-3-ethyl-3-methyloxetan-2-one (CID 102402061) is (3S)-3-ethyl-3-methyloxetan-2-one.
What is the SMILES notation for (3S)-3-ethyl-3-methyloxetan-2-one?
The canonical SMILES for (3S)-3-ethyl-3-methyloxetan-2-one is CC[C@@]1(C)COC1=O.
What is the InChIKey of (3S)-3-ethyl-3-methyloxetan-2-one?
The InChIKey is UFTRVHTYHBMWOF-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O2/c1-3-6(2)4-8-5(6)7/h3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-ethyl-3-methyloxetan-2-one?
(3S)-3-ethyl-3-methyloxetan-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 (3S)-3-ethyl-3-methyloxetan-2-one is sourced from PubChem (CID 102402061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).