2,2-dimethyladamantane-1,3-diol

C12H20O2 — CID 141116572

IUPAC2,2-dimethyladamantane-1,3-diol
SMILESCC1(C)C2(O)CC3CC(C2)CC1(O)C3
InChIInChI=1S/C12H20O2/c1-10(2)11(13)4-8-3-9(6-11)7-12(10,14)5-8/h8-9,13-14H,3-7H2,1-2H3
InChIKeyJEBICTWZWXZTNT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.70
Rot. Bonds

About 2,2-dimethyladamantane-1,3-diol

2,2-dimethyladamantane-1,3-diol (PubChem CID 141116572) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,2-dimethyladamantane-1,3-diol.

Molecular Properties

Compound Name2,2-dimethyladamantane-1,3-diol
PubChem CID141116572
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2,2-dimethyladamantane-1,3-diol
SMILESCC1(C)C2(O)CC3CC(C2)CC1(O)C3
InChIInChI=1S/C12H20O2/c1-10(2)11(13)4-8-3-9(6-11)7-12(10,14)5-8/h8-9,13-14H,3-7H2,1-2H3
InChIKeyJEBICTWZWXZTNT-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-trimethyladamantan-2-ol
CID 139814607
7-amino-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
CID 123493909
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
2,2-diethyladamantan-1-ol
CID 22670607
1-(1-hydroxy-2-methyl-2-adamantyl)prop-2-en-1-one
CID 141040132
adamantane;1-methyladamantane
CID 53425859
adamantan-1-ol;azane
CID 66728775
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
(4S)-4-methyltricyclo[4.3.1.03,8]decan-4-ol
CID 135037653
3-tert-butyladamantan-1-ol
CID 59863856

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyladamantane-1,3-diol?
The IUPAC name of 2,2-dimethyladamantane-1,3-diol (CID 141116572) is 2,2-dimethyladamantane-1,3-diol.
What is the SMILES notation for 2,2-dimethyladamantane-1,3-diol?
The canonical SMILES for 2,2-dimethyladamantane-1,3-diol is CC1(C)C2(O)CC3CC(C2)CC1(O)C3.
What is the InChIKey of 2,2-dimethyladamantane-1,3-diol?
The InChIKey is JEBICTWZWXZTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)11(13)4-8-3-9(6-11)7-12(10,14)5-8/h8-9,13-14H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyladamantane-1,3-diol?
2,2-dimethyladamantane-1,3-diol has a molecular weight of 196.29 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyladamantane-1,3-diol is sourced from PubChem (CID 141116572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).