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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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).