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

C8H12O3 — CID 19039832

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid
SMILESO=C(O)C1CC2COCC2C1
InChIInChI=1S/C8H12O3/c9-8(10)5-1-6-3-11-4-7(6)2-5/h5-7H,1-4H2,(H,9,10)
InChIKeyUSBNQIQBWXCNPI-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.74
Rot. Bonds1

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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid (PubChem CID 19039832) 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-5-carboxylic acid.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid
PubChem CID19039832
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid
SMILESO=C(O)C1CC2COCC2C1
InChIInChI=1S/C8H12O3/c9-8(10)5-1-6-3-11-4-7(6)2-5/h5-7H,1-4H2,(H,9,10)
InChIKeyUSBNQIQBWXCNPI-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid (CID 19039832) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid is O=C(O)C1CC2COCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid?
The InChIKey is USBNQIQBWXCNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)5-1-6-3-11-4-7(6)2-5/h5-7H,1-4H2,(H,9,10).
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.74, 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-5-carboxylic acid is sourced from PubChem (CID 19039832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).