4-ethyl-4-methyl-3-methylideneoxetan-2-one

C7H10O2 — CID 15082531

IUPAC4-ethyl-4-methyl-3-methylideneoxetan-2-one
SMILESC=C1C(=O)OC1(C)CC
InChIInChI=1S/C7H10O2/c1-4-7(3)5(2)6(8)9-7/h2,4H2,1,3H3
InChIKeyFSUGYMUGCYWXLE-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds1

About 4-ethyl-4-methyl-3-methylideneoxetan-2-one

4-ethyl-4-methyl-3-methylideneoxetan-2-one (PubChem CID 15082531) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-ethyl-4-methyl-3-methylideneoxetan-2-one.

Molecular Properties

Compound Name4-ethyl-4-methyl-3-methylideneoxetan-2-one
PubChem CID15082531
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-ethyl-4-methyl-3-methylideneoxetan-2-one
SMILESC=C1C(=O)OC1(C)CC
InChIInChI=1S/C7H10O2/c1-4-7(3)5(2)6(8)9-7/h2,4H2,1,3H3
InChIKeyFSUGYMUGCYWXLE-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-5-methyl-4-methylidenedioxolan-3-one
CID 536762
(3S)-3-ethyl-3,4,6-trimethyl-2-benzofuran-1-one
CID 92982290
(7S)-2-chloro-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one;(7R)-2-chloro-7-ethyl-7-methyl-5-methylidenefuro[3,4-b]pyridine;methane
CID 167641234
5-ethyl-4,5-dimethylfuran-2-one
CID 15587440
2,2-diethyl-5,6-dimethylidene-1,3-dioxan-4-one
CID 123388125
(7S)-7-ethyl-2,7-dimethylfuro[3,4-b]pyridin-5-one
CID 167261699
1,7-diethyl-4,4,8,8-tetramethyl-3,5-dioxabicyclo[5.1.0]octane-2,6-dione
CID 70869397
4,5-diethyl-5-methylfuran-2-one
CID 21465719
2-ethyl-4-hydroxy-2,5-dimethylfuran-3-one
CID 67094155
(7S)-2-deuterio-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
CID 165381210
5-butyl-5-ethyl-3-methylideneoxolan-2-one
CID 12930301
5-ethyl-5-methyl-2-methylideneimidazolidin-4-one
CID 122660422

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-3-methylideneoxetan-2-one?
The IUPAC name of 4-ethyl-4-methyl-3-methylideneoxetan-2-one (CID 15082531) is 4-ethyl-4-methyl-3-methylideneoxetan-2-one.
What is the SMILES notation for 4-ethyl-4-methyl-3-methylideneoxetan-2-one?
The canonical SMILES for 4-ethyl-4-methyl-3-methylideneoxetan-2-one is C=C1C(=O)OC1(C)CC.
What is the InChIKey of 4-ethyl-4-methyl-3-methylideneoxetan-2-one?
The InChIKey is FSUGYMUGCYWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-7(3)5(2)6(8)9-7/h2,4H2,1,3H3.
What are the key properties of 4-ethyl-4-methyl-3-methylideneoxetan-2-one?
4-ethyl-4-methyl-3-methylideneoxetan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-3-methylideneoxetan-2-one is sourced from PubChem (CID 15082531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).