8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid

C12H20O3 — CID 57265258

IUPAC8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
SMILESCC1CCC2CCCC(O)C2C1C(=O)O
InChIInChI=1S/C12H20O3/c1-7-5-6-8-3-2-4-9(13)11(8)10(7)12(14)15/h7-11,13H,2-6H2,1H3,(H,14,15)
InChIKeyLXDIOQSHFUBYDR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds1

About 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid

8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid (PubChem CID 57265258) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
PubChem CID57265258
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
SMILESCC1CCC2CCCC(O)C2C1C(=O)O
InChIInChI=1S/C12H20O3/c1-7-5-6-8-3-2-4-9(13)11(8)10(7)12(14)15/h7-11,13H,2-6H2,1H3,(H,14,15)
InChIKeyLXDIOQSHFUBYDR-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The IUPAC name of 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid (CID 57265258) is 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid is CC1CCC2CCCC(O)C2C1C(=O)O.
What is the InChIKey of 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The InChIKey is LXDIOQSHFUBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-7-5-6-8-3-2-4-9(13)11(8)10(7)12(14)15/h7-11,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 57265258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).