5-ethyl-5-methyl-4-methylidenedioxolan-3-one

C7H10O3 — CID 536762

IUPAC5-ethyl-5-methyl-4-methylidenedioxolan-3-one
SMILESC=C1C(=O)OOC1(C)CC
InChIInChI=1S/C7H10O3/c1-4-7(3)5(2)6(8)9-10-7/h2,4H2,1,3H3
InChIKeyAMYUFZMKMJFROB-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.20
Rot. Bonds1

About 5-ethyl-5-methyl-4-methylidenedioxolan-3-one

5-ethyl-5-methyl-4-methylidenedioxolan-3-one (PubChem CID 536762) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-ethyl-5-methyl-4-methylidenedioxolan-3-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-4-methylidenedioxolan-3-one
PubChem CID536762
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-ethyl-5-methyl-4-methylidenedioxolan-3-one
SMILESC=C1C(=O)OOC1(C)CC
InChIInChI=1S/C7H10O3/c1-4-7(3)5(2)6(8)9-10-7/h2,4H2,1,3H3
InChIKeyAMYUFZMKMJFROB-UHFFFAOYSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-methyl-3-methylideneoxetan-2-one
CID 15082531
4-ethyl-4-methyl-2,3-dioxabicyclo[3.2.2]nona-1(7),5,8-triene
CID 173461999
5-butyl-5-ethyl-3-methylideneoxolan-2-one
CID 12930301
5-ethyl-5-methyl-2-methylideneimidazolidin-4-one
CID 122660422
5-ethyl-5-methyl-3-methylideneoxan-2-one
CID 101264054
2-methyl-5-methylidene-2-pentyl-1,3-dioxane-4,6-dione
CID 139694646
(4S,5R)-5-cyclohexyl-4-ethyl-4-methyl-3-methylideneoxolan-2-one
CID 11287497
5-ethyl-4,5-dimethylfuran-2-one
CID 15587440
2,2-diethyl-5,6-dimethylidene-1,3-dioxan-4-one
CID 123388125
1,7-diethyl-4,4,8,8-tetramethyl-3,5-dioxabicyclo[5.1.0]octane-2,6-dione
CID 70869397
2-ethyl-4-hydroxy-2,5-dimethylfuran-3-one
CID 67094155
4,5-diethyl-5-methylfuran-2-one
CID 21465719

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-4-methylidenedioxolan-3-one?
The IUPAC name of 5-ethyl-5-methyl-4-methylidenedioxolan-3-one (CID 536762) is 5-ethyl-5-methyl-4-methylidenedioxolan-3-one.
What is the SMILES notation for 5-ethyl-5-methyl-4-methylidenedioxolan-3-one?
The canonical SMILES for 5-ethyl-5-methyl-4-methylidenedioxolan-3-one is C=C1C(=O)OOC1(C)CC.
What is the InChIKey of 5-ethyl-5-methyl-4-methylidenedioxolan-3-one?
The InChIKey is AMYUFZMKMJFROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-7(3)5(2)6(8)9-10-7/h2,4H2,1,3H3.
What are the key properties of 5-ethyl-5-methyl-4-methylidenedioxolan-3-one?
5-ethyl-5-methyl-4-methylidenedioxolan-3-one has a molecular weight of 142.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-4-methylidenedioxolan-3-one is sourced from PubChem (CID 536762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).