3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid

C8H12O3 — CID 119031456

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid
SMILESO=C(O)C1OCC2CCCC21
InChIInChI=1S/C8H12O3/c9-8(10)7-6-3-1-2-5(6)4-11-7/h5-7H,1-4H2,(H,9,10)
InChIKeyGLKJJVOXLBAMEL-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds1

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid (PubChem CID 119031456) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid
PubChem CID119031456
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid
SMILESO=C(O)C1OCC2CCCC21
InChIInChI=1S/C8H12O3/c9-8(10)7-6-3-1-2-5(6)4-11-7/h5-7H,1-4H2,(H,9,10)
InChIKeyGLKJJVOXLBAMEL-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3aR,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxylic acid
CID 100658244
(1S,5R)-6-oxabicyclo[3.2.1]octane-8-carboxylic acid
CID 130956156
(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol
CID 11083994
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
(2S,3S)-3-aminooxetane-2-carboxylic acid
CID 55273860
[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 166298002
4-cyclobutyloxane-3-carboxylic acid
CID 84769408
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
(2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100924413
(2S,3S,4S,5S)-4,5-dihydroxy-3-methyloxane-2-carboxylic acid
CID 89099181

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid (CID 119031456) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid is O=C(O)C1OCC2CCCC21.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid?
The InChIKey is GLKJJVOXLBAMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)7-6-3-1-2-5(6)4-11-7/h5-7H,1-4H2,(H,9,10).
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid is sourced from PubChem (CID 119031456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).