2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one

C10H14O3 — CID 14169181

IUPAC2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one
SMILESCCOC1CCC2=C(CCC2=O)O1
InChIInChI=1S/C10H14O3/c1-2-12-10-6-3-7-8(11)4-5-9(7)13-10/h10H,2-6H2,1H3
InChIKeySSRUJHSKXLUAHB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.78
Rot. Bonds2

About 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one

2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one (PubChem CID 14169181) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one.

Molecular Properties

Compound Name2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one
PubChem CID14169181
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one
SMILESCCOC1CCC2=C(CCC2=O)O1
InChIInChI=1S/C10H14O3/c1-2-12-10-6-3-7-8(11)4-5-9(7)13-10/h10H,2-6H2,1H3
InChIKeySSRUJHSKXLUAHB-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5,6,7-Hexahydro-1-benzofuran-4-one
CID 15618900
2-Ethoxy-6,6-dimethyl-2,3,6,7-tetrahydro-1-benzofuran-4(5h)-one
CID 102239197
4(2H)-Benzofuranone, 2-ethoxy-3,5,6,7-tetrahydro-
CID 11063039
2-(2-methylpropoxy)-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 12301529
(4-oxo-3,5,6,7-tetrahydro-2H-1-benzofuran-2-yl) acetate
CID 10910445
2-butoxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 12849129
2-(2-methylpropoxy)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 20534718
2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 20534722
2-(3,3-Diethoxypropyl)-3-methylcyclopent-2-en-1-one
CID 58101235
1-(2-butoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)ethanone
CID 121001590
(2-Methyl-4-oxo-3,5,6,7-tetrahydro-1-benzofuran-2-yl) acetate
CID 142730227
2-Methoxy-2-methyl-3,5,6,7-tetrahydro-1-benzofuran-4-one
CID 142730228

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
The IUPAC name of 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one (CID 14169181) is 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one.
What is the SMILES notation for 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
The canonical SMILES for 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one is CCOC1CCC2=C(CCC2=O)O1.
What is the InChIKey of 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
The InChIKey is SSRUJHSKXLUAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-12-10-6-3-7-8(11)4-5-9(7)13-10/h10H,2-6H2,1H3.
What are the key properties of 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one?
2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyran-5-one is sourced from PubChem (CID 14169181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).