4-methyladamantan-2-ol

C11H18O — CID 590471

IUPAC4-methyladamantan-2-ol
SMILESCC1C2CC3CC(C2)C(O)C1C3
InChIInChI=1S/C11H18O/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h6-12H,2-5H2,1H3
InChIKeyRIVBKQYYKFPXEX-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.05
Rot. Bonds

About 4-methyladamantan-2-ol

4-methyladamantan-2-ol (PubChem CID 590471) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-methyladamantan-2-ol.

Molecular Properties

Compound Name4-methyladamantan-2-ol
PubChem CID590471
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-methyladamantan-2-ol
SMILESCC1C2CC3CC(C2)C(O)C1C3
InChIInChI=1S/C11H18O/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h6-12H,2-5H2,1H3
InChIKeyRIVBKQYYKFPXEX-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyladamantan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,4S)-4-trimethylstannyladamantan-2-ol
CID 13131422
(2R,4S)-4-trimethylsilyladamantan-2-ol
CID 13131354
(1S,2R,3S,4S,5S,7S)-4-hydroxyadamantane-2-carboxylic acid
CID 100872241
adamantane-2,4-diol;propan-2-yl formate
CID 175207734
ethane;2-methyladamantane
CID 90765849
2,4,9-trimethyladamantane
CID 140700120
(3R)-2,3-dimethylbicyclo[3.1.1]heptane
CID 143253423
4,5-dimethyltricyclo[6.2.1.13,6]dodecane
CID 59550450
(2R,3S)-2,3-dimethylbicyclo[3.1.1]heptane;ethane
CID 144841146
2-methyladamantane-1,4-diol
CID 150043877
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131155983
(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
CID 12649513

Frequently Asked Questions

What is the IUPAC name of 4-methyladamantan-2-ol?
The IUPAC name of 4-methyladamantan-2-ol (CID 590471) is 4-methyladamantan-2-ol.
What is the SMILES notation for 4-methyladamantan-2-ol?
The canonical SMILES for 4-methyladamantan-2-ol is CC1C2CC3CC(C2)C(O)C1C3.
What is the InChIKey of 4-methyladamantan-2-ol?
The InChIKey is RIVBKQYYKFPXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h6-12H,2-5H2,1H3.
What are the key properties of 4-methyladamantan-2-ol?
4-methyladamantan-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyladamantan-2-ol is sourced from PubChem (CID 590471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).