(2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid

C11H16O3 — CID 131142750

IUPAC(2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC2=C(CC[C@@H](O)C2)C1
InChIInChI=1S/C11H16O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h9-10,12H,1-6H2,(H,13,14)/t9-,10-/m1/s1
InChIKeySLNSKWLHNXLQCI-NXEZZACHSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds1

About (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid

(2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (PubChem CID 131142750) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
PubChem CID131142750
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC2=C(CC[C@@H](O)C2)C1
InChIInChI=1S/C11H16O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h9-10,12H,1-6H2,(H,13,14)/t9-,10-/m1/s1
InChIKeySLNSKWLHNXLQCI-NXEZZACHSA-N
XLogP1.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5,6,7,8-Octahydronaphthalene-2-carboxylic acid
CID 13554228
2-[(1S,5S)-5-(hydroxymethyl)-1,2,5-trimethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]acetate
CID 134972571
2-(6-Hydroxy-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalen-1-yl)propanoic acid
CID 146673580
(r)-2-((1r,6s,8Ar)-6-hydroxy-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalen-1-yl)propanoic acid
CID 146673581
1,2,3,4,5,6,7,8,9,10-Decahydroanthracene-9,10-dicarboxylic acid
CID 162400054
2-(7,11-Dimethyl-4,5,8,9,10,11,12,13-octahydronaphthalen-4-yl)-3-hydroxypropanoic acid
CID 167531202
methyl 2-hydroxy-2,3,4,5,6,7-hexahydro-1H-indene-5-carboxylate
CID 130128551
2-(2,3-Dimethylcyclohexen-1-yl)acetic acid
CID 12682238
2-(2,6-Dimethylcyclohexen-1-yl)acetic acid
CID 12682242
2-[4-(3-Hydroxypropyl)cyclohexen-1-yl]acetic acid
CID 19424766
2-[4-(2-Hydroxyethyl)cyclohexen-1-yl]acetic acid
CID 19424771
1,2,3,4,5,6,7,8-Octahydronaphthalene-1,4-dicarboxylic acid
CID 21396933

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The IUPAC name of (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (CID 131142750) is (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is O=C(O)[C@@H]1CCC2=C(CC[C@@H](O)C2)C1.
What is the InChIKey of (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The InChIKey is SLNSKWLHNXLQCI-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h9-10,12H,1-6H2,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
(2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-hydroxy-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 131142750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).