(4R,9S)-spiro[4.4]nonane-4,9-diol

C9H16O2 — CID 676656

IUPAC(4R,9S)-spiro[4.4]nonane-4,9-diol
SMILESO[C@@H]1CCCC12CCC[C@@H]2O
InChIInChI=1S/C9H16O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7-8,10-11H,1-6H2/t7-,8+,9?
InChIKeyACIVJWAOSTYYEP-JVHMLUBASA-N
MW156.22 g/mol
LogP1.06
Rot. Bonds

About (4R,9S)-spiro[4.4]nonane-4,9-diol

(4R,9S)-spiro[4.4]nonane-4,9-diol (PubChem CID 676656) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4R,9S)-spiro[4.4]nonane-4,9-diol.

Molecular Properties

Compound Name(4R,9S)-spiro[4.4]nonane-4,9-diol
PubChem CID676656
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4R,9S)-spiro[4.4]nonane-4,9-diol
SMILESO[C@@H]1CCCC12CCC[C@@H]2O
InChIInChI=1S/C9H16O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7-8,10-11H,1-6H2/t7-,8+,9?
InChIKeyACIVJWAOSTYYEP-JVHMLUBASA-N
XLogP1.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R,9S)-spiro[4.4]nonane-4,9-diol 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 (4R,9S)-spiro[4.4]nonane-4,9-diol?
The IUPAC name of (4R,9S)-spiro[4.4]nonane-4,9-diol (CID 676656) is (4R,9S)-spiro[4.4]nonane-4,9-diol.
What is the SMILES notation for (4R,9S)-spiro[4.4]nonane-4,9-diol?
The canonical SMILES for (4R,9S)-spiro[4.4]nonane-4,9-diol is O[C@@H]1CCCC12CCC[C@@H]2O.
What is the InChIKey of (4R,9S)-spiro[4.4]nonane-4,9-diol?
The InChIKey is ACIVJWAOSTYYEP-JVHMLUBASA-N. The full InChI is InChI=1S/C9H16O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7-8,10-11H,1-6H2/t7-,8+,9?.
What are the key properties of (4R,9S)-spiro[4.4]nonane-4,9-diol?
(4R,9S)-spiro[4.4]nonane-4,9-diol has a molecular weight of 156.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,9S)-spiro[4.4]nonane-4,9-diol is sourced from PubChem (CID 676656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).