7-ethyladamantane-1,3,5-triol

C12H20O3 — CID 23113234

IUPAC7-ethyladamantane-1,3,5-triol
SMILESCCC12CC3(O)CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O3/c1-2-9-3-10(13)6-11(14,4-9)8-12(15,5-9)7-10/h13-15H,2-8H2,1H3
InChIKeyRLGHCRMGWMGWSA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.96
Rot. Bonds1

About 7-ethyladamantane-1,3,5-triol

7-ethyladamantane-1,3,5-triol (PubChem CID 23113234) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 7-ethyladamantane-1,3,5-triol.

Molecular Properties

Compound Name7-ethyladamantane-1,3,5-triol
PubChem CID23113234
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name7-ethyladamantane-1,3,5-triol
SMILESCCC12CC3(O)CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O3/c1-2-9-3-10(13)6-11(14,4-9)8-12(15,5-9)7-10/h13-15H,2-8H2,1H3
InChIKeyRLGHCRMGWMGWSA-UHFFFAOYSA-N
XLogP0.96
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyladamantane-1,3,5-triol?
The IUPAC name of 7-ethyladamantane-1,3,5-triol (CID 23113234) is 7-ethyladamantane-1,3,5-triol.
What is the SMILES notation for 7-ethyladamantane-1,3,5-triol?
The canonical SMILES for 7-ethyladamantane-1,3,5-triol is CCC12CC3(O)CC(O)(CC(O)(C3)C1)C2.
What is the InChIKey of 7-ethyladamantane-1,3,5-triol?
The InChIKey is RLGHCRMGWMGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-9-3-10(13)6-11(14,4-9)8-12(15,5-9)7-10/h13-15H,2-8H2,1H3.
What are the key properties of 7-ethyladamantane-1,3,5-triol?
7-ethyladamantane-1,3,5-triol has a molecular weight of 212.29 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyladamantane-1,3,5-triol is sourced from PubChem (CID 23113234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).