2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid

C12H14O4 — CID 84788529

IUPAC2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid
SMILESO=C(O)c1c(C2CCCC2)oc2c1COC2
InChIInChI=1S/C12H14O4/c13-12(14)10-8-5-15-6-9(8)16-11(10)7-3-1-2-4-7/h7H,1-6H2,(H,13,14)
InChIKeyNTTDKUFECBLSGV-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.67
Rot. Bonds2

About 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid

2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid (PubChem CID 84788529) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid
PubChem CID84788529
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid
SMILESO=C(O)c1c(C2CCCC2)oc2c1COC2
InChIInChI=1S/C12H14O4/c13-12(14)10-8-5-15-6-9(8)16-11(10)7-3-1-2-4-7/h7H,1-6H2,(H,13,14)
InChIKeyNTTDKUFECBLSGV-UHFFFAOYSA-N
XLogP2.67
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid?
The IUPAC name of 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid (CID 84788529) is 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid is O=C(O)c1c(C2CCCC2)oc2c1COC2.
What is the InChIKey of 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid?
The InChIKey is NTTDKUFECBLSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-12(14)10-8-5-15-6-9(8)16-11(10)7-3-1-2-4-7/h7H,1-6H2,(H,13,14).
What are the key properties of 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid?
2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,6-dihydrofuro[3,4-b]furan-3-carboxylic acid is sourced from PubChem (CID 84788529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).