(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate

C9H12O4 — CID 118504353

IUPAC(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate
SMILESCC(=O)OC12CCCC1OC(=O)C2
InChIInChI=1S/C9H12O4/c1-6(10)13-9-4-2-3-7(9)12-8(11)5-9/h7H,2-5H2,1H3
InChIKeyRYNMBLYEQUFALT-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.79
Rot. Bonds1

About (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate

(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate (PubChem CID 118504353) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate.

Molecular Properties

Compound Name(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate
PubChem CID118504353
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate
SMILESCC(=O)OC12CCCC1OC(=O)C2
InChIInChI=1S/C9H12O4/c1-6(10)13-9-4-2-3-7(9)12-8(11)5-9/h7H,2-5H2,1H3
InChIKeyRYNMBLYEQUFALT-UHFFFAOYSA-N
XLogP0.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
The IUPAC name of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate (CID 118504353) is (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate.
What is the SMILES notation for (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
The canonical SMILES for (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate is CC(=O)OC12CCCC1OC(=O)C2.
What is the InChIKey of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
The InChIKey is RYNMBLYEQUFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-6(10)13-9-4-2-3-7(9)12-8(11)5-9/h7H,2-5H2,1H3.
What are the key properties of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate has a molecular weight of 184.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate is sourced from PubChem (CID 118504353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).