6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid

C10H12O4 — CID 112715473

IUPAC6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
SMILESCc1cc2c(o1)C(O)(C(=O)O)C(C)C2
InChIInChI=1S/C10H12O4/c1-5-3-7-4-6(2)14-8(7)10(5,13)9(11)12/h4-5,13H,3H2,1-2H3,(H,11,12)
InChIKeyZYFOCVDRQZSRIV-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.05
Rot. Bonds1

About 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid

6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid (PubChem CID 112715473) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
PubChem CID112715473
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
SMILESCc1cc2c(o1)C(O)(C(=O)O)C(C)C2
InChIInChI=1S/C10H12O4/c1-5-3-7-4-6(2)14-8(7)10(5,13)9(11)12/h4-5,13H,3H2,1-2H3,(H,11,12)
InChIKeyZYFOCVDRQZSRIV-UHFFFAOYSA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-ol
CID 112714723
2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112716453
1-hydroxy-2,4-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 112715912
2-(6-hydroxy-5-methyl-4,5-dihydrocyclopenta[b]furan-6-yl)acetic acid
CID 112715469
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
7-(aminomethyl)-2,6,6-trimethyl-4,5-dihydro-1-benzofuran-7-ol
CID 112716333
2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one
CID 112714246
(2'R,5S,6S)-5-hydroxy-2'-(2-hydroxypropan-2-yl)-2-methylspiro[4,5-dihydro-1-benzofuran-6,1'-cyclopropane]-7-one
CID 10705797
5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid
CID 112715998
7-amino-6-methyl-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid
CID 112715027
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 62526454

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
The IUPAC name of 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid (CID 112715473) is 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
The canonical SMILES for 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid is Cc1cc2c(o1)C(O)(C(=O)O)C(C)C2.
What is the InChIKey of 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
The InChIKey is ZYFOCVDRQZSRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-5-3-7-4-6(2)14-8(7)10(5,13)9(11)12/h4-5,13H,3H2,1-2H3,(H,11,12).
What are the key properties of 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid is sourced from PubChem (CID 112715473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).