2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one

C10H14O3 — CID 134919469

IUPAC2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
SMILESCCC1(C)OC(=O)C2=C(CCC2)O1
InChIInChI=1S/C10H14O3/c1-3-10(2)12-8-6-4-5-7(8)9(11)13-10/h3-6H2,1-2H3
InChIKeyFPGUUFJIIBKOMV-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.12
Rot. Bonds1

About 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one

2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one (PubChem CID 134919469) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
PubChem CID134919469
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
SMILESCCC1(C)OC(=O)C2=C(CCC2)O1
InChIInChI=1S/C10H14O3/c1-3-10(2)12-8-6-4-5-7(8)9(11)13-10/h3-6H2,1-2H3
InChIKeyFPGUUFJIIBKOMV-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 11344377
2-ethyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 54249415
2,2-dimethyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 54537833
Methyl 2-acetyloxycyclopentene-1-carboxylate
CID 12450292
InChI=1/C9H14O3/c1-3-12-9(10)7-5-4-6-8(7)11-2/h3-6H2,1-2H
CID 13205386
Methyl 2-ethoxycyclopent-1-ene-1-carboxylate
CID 12586399
2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 134919691
7,14-Dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione
CID 134921795
ethyl (2Z)-2-[1-(methoxymethoxy)ethylidene]hexanoate
CID 134932836
Ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
CID 134986294
3-Propan-2-ylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one
CID 135033225
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 573789

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The IUPAC name of 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one (CID 134919469) is 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one.
What is the SMILES notation for 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The canonical SMILES for 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one is CCC1(C)OC(=O)C2=C(CCC2)O1.
What is the InChIKey of 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The InChIKey is FPGUUFJIIBKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-10(2)12-8-6-4-5-7(8)9(11)13-10/h3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one has a molecular weight of 182.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one is sourced from PubChem (CID 134919469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).