4-hydroxy-5-methyladamantan-2-one

C11H16O2 — CID 14418188

IUPAC4-hydroxy-5-methyladamantan-2-one
SMILESCC12CC3CC(C1)C(=O)C(C3)C2O
InChIInChI=1S/C11H16O2/c1-11-4-6-2-7(5-11)9(12)8(3-6)10(11)13/h6-8,10,13H,2-5H2,1H3
InChIKeyVYDONZMBJZWPTK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.37
Rot. Bonds

About 4-hydroxy-5-methyladamantan-2-one

4-hydroxy-5-methyladamantan-2-one (PubChem CID 14418188) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-hydroxy-5-methyladamantan-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyladamantan-2-one
PubChem CID14418188
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-hydroxy-5-methyladamantan-2-one
SMILESCC12CC3CC(C1)C(=O)C(C3)C2O
InChIInChI=1S/C11H16O2/c1-11-4-6-2-7(5-11)9(12)8(3-6)10(11)13/h6-8,10,13H,2-5H2,1H3
InChIKeyVYDONZMBJZWPTK-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyladamantan-2-ol
CID 12697517
(1S,3R,4S,5R,7R)-4-hydroxyadamantan-2-one
CID 98044026
(1R,3S,4S,5S,7R)-4-hydroxyadamantan-2-one
CID 15561422
1-(2-hydroxy-1-adamantyl)ethanone
CID 591962
(3R,5S)-1-methyl-4-methylideneadamantane
CID 10034924
(4-oxo-2-adamantyl)oxymethyl 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 89069335
5-(2-hydroperoxyethyl)adamantan-2-one
CID 89082879
4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one
CID 69160144
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
(2E,5R,7S)-1-methyl-2-[(5R,7S)-1-methyl-2-adamantylidene]adamantane
CID 101019759
4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one
CID 14357181
(4-oxo-1-adamantyl) formate
CID 91330974

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyladamantan-2-one?
The IUPAC name of 4-hydroxy-5-methyladamantan-2-one (CID 14418188) is 4-hydroxy-5-methyladamantan-2-one.
What is the SMILES notation for 4-hydroxy-5-methyladamantan-2-one?
The canonical SMILES for 4-hydroxy-5-methyladamantan-2-one is CC12CC3CC(C1)C(=O)C(C3)C2O.
What is the InChIKey of 4-hydroxy-5-methyladamantan-2-one?
The InChIKey is VYDONZMBJZWPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11-4-6-2-7(5-11)9(12)8(3-6)10(11)13/h6-8,10,13H,2-5H2,1H3.
What are the key properties of 4-hydroxy-5-methyladamantan-2-one?
4-hydroxy-5-methyladamantan-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyladamantan-2-one is sourced from PubChem (CID 14418188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).