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

C10H14O4 — CID 118504350

IUPAC(3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate
SMILESCC(=O)OC12CCCC1OC(=O)C2C
InChIInChI=1S/C10H14O4/c1-6-9(12)13-8-4-3-5-10(6,8)14-7(2)11/h6,8H,3-5H2,1-2H3
InChIKeyYILHLPGJPOWXLW-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.03
Rot. Bonds1

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

(3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate (PubChem CID 118504350) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate.

Molecular Properties

Compound Name(3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate
PubChem CID118504350
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate
SMILESCC(=O)OC12CCCC1OC(=O)C2C
InChIInChI=1S/C10H14O4/c1-6-9(12)13-8-4-3-5-10(6,8)14-7(2)11/h6,8H,3-5H2,1-2H3
InChIKeyYILHLPGJPOWXLW-UHFFFAOYSA-N
XLogP1.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
The IUPAC name of (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate (CID 118504350) is (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate.
What is the SMILES notation for (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
The canonical SMILES for (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate is CC(=O)OC12CCCC1OC(=O)C2C.
What is the InChIKey of (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
The InChIKey is YILHLPGJPOWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-9(12)13-8-4-3-5-10(6,8)14-7(2)11/h6,8H,3-5H2,1-2H3.
What are the key properties of (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate?
(3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate has a molecular weight of 198.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) acetate is sourced from PubChem (CID 118504350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).