1-hydroxy-3,5-dimethyladamantan-2-one

C12H18O2 — CID 23087054

IUPAC1-hydroxy-3,5-dimethyladamantan-2-one
SMILESCC12CC3CC(C)(C1)C(=O)C(O)(C3)C2
InChIInChI=1S/C12H18O2/c1-10-3-8-4-11(2,6-10)9(13)12(14,5-8)7-10/h8,14H,3-7H2,1-2H3
InChIKeyNUFIJIKSXVTUQS-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.91
Rot. Bonds

About 1-hydroxy-3,5-dimethyladamantan-2-one

1-hydroxy-3,5-dimethyladamantan-2-one (PubChem CID 23087054) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-hydroxy-3,5-dimethyladamantan-2-one.

Molecular Properties

Compound Name1-hydroxy-3,5-dimethyladamantan-2-one
PubChem CID23087054
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-hydroxy-3,5-dimethyladamantan-2-one
SMILESCC12CC3CC(C)(C1)C(=O)C(O)(C3)C2
InChIInChI=1S/C12H18O2/c1-10-3-8-4-11(2,6-10)9(13)12(14,5-8)7-10/h8,14H,3-7H2,1-2H3
InChIKeyNUFIJIKSXVTUQS-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,5-dimethyladamantan-2-one?
The IUPAC name of 1-hydroxy-3,5-dimethyladamantan-2-one (CID 23087054) is 1-hydroxy-3,5-dimethyladamantan-2-one.
What is the SMILES notation for 1-hydroxy-3,5-dimethyladamantan-2-one?
The canonical SMILES for 1-hydroxy-3,5-dimethyladamantan-2-one is CC12CC3CC(C)(C1)C(=O)C(O)(C3)C2.
What is the InChIKey of 1-hydroxy-3,5-dimethyladamantan-2-one?
The InChIKey is NUFIJIKSXVTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10-3-8-4-11(2,6-10)9(13)12(14,5-8)7-10/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-hydroxy-3,5-dimethyladamantan-2-one?
1-hydroxy-3,5-dimethyladamantan-2-one has a molecular weight of 194.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,5-dimethyladamantan-2-one is sourced from PubChem (CID 23087054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).