1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid

C10H16O4 — CID 67788588

IUPAC1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid
SMILESCC1CC(C(=O)O)C2CCOC(O)C12
InChIInChI=1S/C10H16O4/c1-5-4-7(9(11)12)6-2-3-14-10(13)8(5)6/h5-8,10,13H,2-4H2,1H3,(H,11,12)
InChIKeyARVKGDATHUKKSG-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.70
Rot. Bonds1

About 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid

1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid (PubChem CID 67788588) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid
PubChem CID67788588
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid
SMILESCC1CC(C(=O)O)C2CCOC(O)C12
InChIInChI=1S/C10H16O4/c1-5-4-7(9(11)12)6-2-3-14-10(13)8(5)6/h5-8,10,13H,2-4H2,1H3,(H,11,12)
InChIKeyARVKGDATHUKKSG-UHFFFAOYSA-N
XLogP0.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid?
The IUPAC name of 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid (CID 67788588) is 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid.
What is the SMILES notation for 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid?
The canonical SMILES for 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid is CC1CC(C(=O)O)C2CCOC(O)C12.
What is the InChIKey of 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid?
The InChIKey is ARVKGDATHUKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-4-7(9(11)12)6-2-3-14-10(13)8(5)6/h5-8,10,13H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid?
1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid is sourced from PubChem (CID 67788588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).