1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid

C9H10O4 — CID 67789102

IUPAC1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
SMILESO=C(O)C1=CC=C2C(O)OCCC12
InChIInChI=1S/C9H10O4/c10-8(11)6-1-2-7-5(6)3-4-13-9(7)12/h1-2,5,9,12H,3-4H2,(H,10,11)
InChIKeyYNVXEWRIODTQEP-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.29
Rot. Bonds1

About 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid

1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid (PubChem CID 67789102) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
PubChem CID67789102
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
SMILESO=C(O)C1=CC=C2C(O)OCCC12
InChIInChI=1S/C9H10O4/c10-8(11)6-1-2-7-5(6)3-4-13-9(7)12/h1-2,5,9,12H,3-4H2,(H,10,11)
InChIKeyYNVXEWRIODTQEP-UHFFFAOYSA-N
XLogP0.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid?
The IUPAC name of 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid (CID 67789102) is 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid.
What is the SMILES notation for 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid?
The canonical SMILES for 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid is O=C(O)C1=CC=C2C(O)OCCC12.
What is the InChIKey of 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid?
The InChIKey is YNVXEWRIODTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-8(11)6-1-2-7-5(6)3-4-13-9(7)12/h1-2,5,9,12H,3-4H2,(H,10,11).
What are the key properties of 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid?
1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid has a molecular weight of 182.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid is sourced from PubChem (CID 67789102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).