5-ethyladamantane-1,3-diol

C12H20O2 — CID 3652070

IUPAC5-ethyladamantane-1,3-diol
SMILESCCC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O2/c1-2-10-3-9-4-11(13,6-10)8-12(14,5-9)7-10/h9,13-14H,2-8H2,1H3
InChIKeyUBZYZZAIOTYCAB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds1

About 5-ethyladamantane-1,3-diol

5-ethyladamantane-1,3-diol (PubChem CID 3652070) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-ethyladamantane-1,3-diol.

Molecular Properties

Compound Name5-ethyladamantane-1,3-diol
PubChem CID3652070
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-ethyladamantane-1,3-diol
SMILESCCC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O2/c1-2-10-3-9-4-11(13,6-10)8-12(14,5-9)7-10/h9,13-14H,2-8H2,1H3
InChIKeyUBZYZZAIOTYCAB-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-ethyladamantane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyladamantane-1,3-diol?
The IUPAC name of 5-ethyladamantane-1,3-diol (CID 3652070) is 5-ethyladamantane-1,3-diol.
What is the SMILES notation for 5-ethyladamantane-1,3-diol?
The canonical SMILES for 5-ethyladamantane-1,3-diol is CCC12CC3CC(O)(CC(O)(C3)C1)C2.
What is the InChIKey of 5-ethyladamantane-1,3-diol?
The InChIKey is UBZYZZAIOTYCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-3-9-4-11(13,6-10)8-12(14,5-9)7-10/h9,13-14H,2-8H2,1H3.
What are the key properties of 5-ethyladamantane-1,3-diol?
5-ethyladamantane-1,3-diol has a molecular weight of 196.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyladamantane-1,3-diol is sourced from PubChem (CID 3652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).