(4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol

C10H16O2 — CID 163576998

IUPAC(4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol
SMILESC[C@@H]1C[C@@]2(C[C@H]2O)[C@@H](O)C12CC2
InChIInChI=1S/C10H16O2/c1-6-4-10(5-7(10)11)8(12)9(6)2-3-9/h6-8,11-12H,2-5H2,1H3/t6-,7-,8+,10+/m1/s1
InChIKeyGEIWMGSGXXNYHV-ODXREFDESA-N
MW168.24 g/mol
LogP0.92
Rot. Bonds

About (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol

(4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol (PubChem CID 163576998) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol.

Molecular Properties

Compound Name(4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol
PubChem CID163576998
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol
SMILESC[C@@H]1C[C@@]2(C[C@H]2O)[C@@H](O)C12CC2
InChIInChI=1S/C10H16O2/c1-6-4-10(5-7(10)11)8(12)9(6)2-3-9/h6-8,11-12H,2-5H2,1H3/t6-,7-,8+,10+/m1/s1
InChIKeyGEIWMGSGXXNYHV-ODXREFDESA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol with MolForge

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

Launch Full Analysis

Related Compounds

6,10-dimethylspiro[3.6]decan-3-ol
CID 123417342
2-methylcyclopropane-1,1-diol
CID 68932442
dispiro[5.1.58.16]tetradecane-7,14-diol
CID 21492522
4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol
CID 23238990
(2S)-2-methylspiro[2.2]pentane
CID 153461113
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane
CID 123542377
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
7-azaspiro[3.5]nonan-2-ol;ethane
CID 145338520
2-methylspiro[2.4]heptan-7-amine
CID 146817135
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,1,2,4,4-pentamethylcyclohexane
CID 18728443

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol?
The IUPAC name of (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol (CID 163576998) is (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol.
What is the SMILES notation for (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol?
The canonical SMILES for (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol is C[C@@H]1C[C@@]2(C[C@H]2O)[C@@H](O)C12CC2.
What is the InChIKey of (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol?
The InChIKey is GEIWMGSGXXNYHV-ODXREFDESA-N. The full InChI is InChI=1S/C10H16O2/c1-6-4-10(5-7(10)11)8(12)9(6)2-3-9/h6-8,11-12H,2-5H2,1H3/t6-,7-,8+,10+/m1/s1.
What are the key properties of (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol?
(4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol has a molecular weight of 168.24 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol is sourced from PubChem (CID 163576998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).