(3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one

C9H14O3 — CID 10678735

IUPAC(3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one
SMILESCC[C@@]12CCCOC1OC(=O)C2
InChIInChI=1S/C9H14O3/c1-2-9-4-3-5-11-8(9)12-7(10)6-9/h8H,2-6H2,1H3/t8?,9-/m0/s1
InChIKeyKZFOJLCEBFYDAZ-GKAPJAKFSA-N
MW170.21 g/mol
LogP1.47
Rot. Bonds1

About (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one

(3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one (PubChem CID 10678735) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one.

Molecular Properties

Compound Name(3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one
PubChem CID10678735
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one
SMILESCC[C@@]12CCCOC1OC(=O)C2
InChIInChI=1S/C9H14O3/c1-2-9-4-3-5-11-8(9)12-7(10)6-9/h8H,2-6H2,1H3/t8?,9-/m0/s1
InChIKeyKZFOJLCEBFYDAZ-GKAPJAKFSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one?
The IUPAC name of (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one (CID 10678735) is (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one.
What is the SMILES notation for (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one?
The canonical SMILES for (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one is CC[C@@]12CCCOC1OC(=O)C2.
What is the InChIKey of (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one?
The InChIKey is KZFOJLCEBFYDAZ-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-9-4-3-5-11-8(9)12-7(10)6-9/h8H,2-6H2,1H3/t8?,9-/m0/s1.
What are the key properties of (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one?
(3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one is sourced from PubChem (CID 10678735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).