1,2,3-trimethyladamantan-2-ol

C13H22O — CID 139814607

IUPAC1,2,3-trimethyladamantan-2-ol
SMILESCC12CC3CC(C1)CC(C)(C3)C2(C)O
InChIInChI=1S/C13H22O/c1-11-5-9-4-10(6-11)8-12(2,7-9)13(11,3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyNXRXSZNEOOMMBY-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds

About 1,2,3-trimethyladamantan-2-ol

1,2,3-trimethyladamantan-2-ol (PubChem CID 139814607) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,2,3-trimethyladamantan-2-ol.

Molecular Properties

Compound Name1,2,3-trimethyladamantan-2-ol
PubChem CID139814607
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1,2,3-trimethyladamantan-2-ol
SMILESCC12CC3CC(C1)CC(C)(C3)C2(C)O
InChIInChI=1S/C13H22O/c1-11-5-9-4-10(6-11)8-12(2,7-9)13(11,3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyNXRXSZNEOOMMBY-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyladamantane-1,3-diol
CID 141116572
3,4,5-trimethyladamantane-1,4-diol
CID 139814591
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
1,2-dimethyladamantane-2-carbonitrile
CID 59962108
azane;1,2,2-trimethyladamantane;dihydrate
CID 174964765
(1,2-dimethyl-2-adamantyl)phosphane
CID 68592204
adamantane;1-methyladamantane
CID 53425859
adamantan-1-ol;azane
CID 66728775
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

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyladamantan-2-ol?
The IUPAC name of 1,2,3-trimethyladamantan-2-ol (CID 139814607) is 1,2,3-trimethyladamantan-2-ol.
What is the SMILES notation for 1,2,3-trimethyladamantan-2-ol?
The canonical SMILES for 1,2,3-trimethyladamantan-2-ol is CC12CC3CC(C1)CC(C)(C3)C2(C)O.
What is the InChIKey of 1,2,3-trimethyladamantan-2-ol?
The InChIKey is NXRXSZNEOOMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-11-5-9-4-10(6-11)8-12(2,7-9)13(11,3)14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1,2,3-trimethyladamantan-2-ol?
1,2,3-trimethyladamantan-2-ol has a molecular weight of 194.32 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyladamantan-2-ol is sourced from PubChem (CID 139814607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).