5,7-dimethyladamantane-1,3-diol

C12H20O2 — CID 580605

IUPAC5,7-dimethyladamantane-1,3-diol
SMILESCC12CC3(C)CC(O)(C1)CC(O)(C2)C3
InChIInChI=1S/C12H20O2/c1-9-3-10(2)6-11(13,4-9)8-12(14,5-9)7-10/h13-14H,3-8H2,1-2H3
InChIKeyXNTKRLBGVHQKEJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds

About 5,7-dimethyladamantane-1,3-diol

5,7-dimethyladamantane-1,3-diol (PubChem CID 580605) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5,7-dimethyladamantane-1,3-diol.

Molecular Properties

Compound Name5,7-dimethyladamantane-1,3-diol
PubChem CID580605
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5,7-dimethyladamantane-1,3-diol
SMILESCC12CC3(C)CC(O)(C1)CC(O)(C2)C3
InChIInChI=1S/C12H20O2/c1-9-3-10(2)6-11(13,4-9)8-12(14,5-9)7-10/h13-14H,3-8H2,1-2H3
InChIKeyXNTKRLBGVHQKEJ-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethyladamantane-1,3-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 5,7-dimethyladamantane-1,3-diol?
The IUPAC name of 5,7-dimethyladamantane-1,3-diol (CID 580605) is 5,7-dimethyladamantane-1,3-diol.
What is the SMILES notation for 5,7-dimethyladamantane-1,3-diol?
The canonical SMILES for 5,7-dimethyladamantane-1,3-diol is CC12CC3(C)CC(O)(C1)CC(O)(C2)C3.
What is the InChIKey of 5,7-dimethyladamantane-1,3-diol?
The InChIKey is XNTKRLBGVHQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-3-10(2)6-11(13,4-9)8-12(14,5-9)7-10/h13-14H,3-8H2,1-2H3.
What are the key properties of 5,7-dimethyladamantane-1,3-diol?
5,7-dimethyladamantane-1,3-diol has a molecular weight of 196.29 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyladamantane-1,3-diol is sourced from PubChem (CID 580605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).