adamantane-2,6-diol

C10H16O2 — CID 591391

IUPACadamantane-2,6-diol
SMILESOC1C2CC3CC1CC(C2)C3O
InChIInChI=1S/C10H16O2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-12H,1-4H2
InChIKeyMJHGVORZDBZFTH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.77
Rot. Bonds

About adamantane-2,6-diol

adamantane-2,6-diol (PubChem CID 591391) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is adamantane-2,6-diol.

Molecular Properties

Compound Nameadamantane-2,6-diol
PubChem CID591391
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameadamantane-2,6-diol
SMILESOC1C2CC3CC1CC(C2)C3O
InChIInChI=1S/C10H16O2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-12H,1-4H2
InChIKeyMJHGVORZDBZFTH-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze adamantane-2,6-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of adamantane-2,6-diol?
The IUPAC name of adamantane-2,6-diol (CID 591391) is adamantane-2,6-diol.
What is the SMILES notation for adamantane-2,6-diol?
The canonical SMILES for adamantane-2,6-diol is OC1C2CC3CC1CC(C2)C3O.
What is the InChIKey of adamantane-2,6-diol?
The InChIKey is MJHGVORZDBZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-12H,1-4H2.
What are the key properties of adamantane-2,6-diol?
adamantane-2,6-diol has a molecular weight of 168.24 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-2,6-diol is sourced from PubChem (CID 591391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).