1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone

C8H12O4 — CID 69255207

IUPAC1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone
SMILESCC(=O)C1OC2OCCC2C1O
InChIInChI=1S/C8H12O4/c1-4(9)7-6(10)5-2-3-11-8(5)12-7/h5-8,10H,2-3H2,1H3
InChIKeyBQWZRVMNGZZZMV-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.30
Rot. Bonds1

About 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone

1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone (PubChem CID 69255207) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone
PubChem CID69255207
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone
SMILESCC(=O)C1OC2OCCC2C1O
InChIInChI=1S/C8H12O4/c1-4(9)7-6(10)5-2-3-11-8(5)12-7/h5-8,10H,2-3H2,1H3
InChIKeyBQWZRVMNGZZZMV-UHFFFAOYSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone (CID 69255207) is 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone is CC(=O)C1OC2OCCC2C1O.
What is the InChIKey of 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone?
The InChIKey is BQWZRVMNGZZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4(9)7-6(10)5-2-3-11-8(5)12-7/h5-8,10H,2-3H2,1H3.
What are the key properties of 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone?
1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone has a molecular weight of 172.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone is sourced from PubChem (CID 69255207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).