(1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid

C13H20O3 — CID 155553184

IUPAC(1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid
SMILESC=C1CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2C(=O)O
InChIInChI=1S/C13H20O3/c1-8-5-6-13(7-11(8)14)9(2)3-4-10(13)12(15)16/h9-11,14H,1,3-7H2,2H3,(H,15,16)/t9-,10-,11+,13+/m1/s1
InChIKeyRPHUMFUPNVFYQV-DCQANWLSSA-N
MW224.30 g/mol
LogP2.20
Rot. Bonds1

About (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid

(1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid (PubChem CID 155553184) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid
PubChem CID155553184
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid
SMILESC=C1CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2C(=O)O
InChIInChI=1S/C13H20O3/c1-8-5-6-13(7-11(8)14)9(2)3-4-10(13)12(15)16/h9-11,14H,1,3-7H2,2H3,(H,15,16)/t9-,10-,11+,13+/m1/s1
InChIKeyRPHUMFUPNVFYQV-DCQANWLSSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid (CID 155553184) is (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid is C=C1CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2C(=O)O.
What is the InChIKey of (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid?
The InChIKey is RPHUMFUPNVFYQV-DCQANWLSSA-N. The full InChI is InChI=1S/C13H20O3/c1-8-5-6-13(7-11(8)14)9(2)3-4-10(13)12(15)16/h9-11,14H,1,3-7H2,2H3,(H,15,16)/t9-,10-,11+,13+/m1/s1.
What are the key properties of (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid?
(1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,9S)-9-hydroxy-1-methyl-8-methylidenespiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 155553184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).