[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate

C9H14O3 — CID 58853136

IUPAC[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate
SMILESCC(=O)OC1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C9H14O3/c1-6(10)12-9-2-7-4-11-5-8(7)3-9/h7-9H,2-5H2,1H3/t7-,8+,9?
InChIKeyOCRUMUVWCXTMEW-JVHMLUBASA-N
MW170.21 g/mol
LogP0.97
Rot. Bonds1

About [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate

[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate (PubChem CID 58853136) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate.

Molecular Properties

Compound Name[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate
PubChem CID58853136
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate
SMILESCC(=O)OC1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C9H14O3/c1-6(10)12-9-2-7-4-11-5-8(7)3-9/h7-9H,2-5H2,1H3/t7-,8+,9?
InChIKeyOCRUMUVWCXTMEW-JVHMLUBASA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate?
The IUPAC name of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate (CID 58853136) is [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate.
What is the SMILES notation for [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate?
The canonical SMILES for [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate is CC(=O)OC1C[C@H]2COC[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate?
The InChIKey is OCRUMUVWCXTMEW-JVHMLUBASA-N. The full InChI is InChI=1S/C9H14O3/c1-6(10)12-9-2-7-4-11-5-8(7)3-9/h7-9H,2-5H2,1H3/t7-,8+,9?.
What are the key properties of [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate?
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate has a molecular weight of 170.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate is sourced from PubChem (CID 58853136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).