3-ethyladamantan-1-ol

C12H20O — CID 3472936

IUPAC3-ethyladamantan-1-ol
SMILESCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10,13H,2-8H2,1H3
InChIKeyLJFGNNHKXSJWFF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds1

About 3-ethyladamantan-1-ol

3-ethyladamantan-1-ol (PubChem CID 3472936) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-ethyladamantan-1-ol.

Molecular Properties

Compound Name3-ethyladamantan-1-ol
PubChem CID3472936
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-ethyladamantan-1-ol
SMILESCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10,13H,2-8H2,1H3
InChIKeyLJFGNNHKXSJWFF-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyladamantan-1-ol?
The IUPAC name of 3-ethyladamantan-1-ol (CID 3472936) is 3-ethyladamantan-1-ol.
What is the SMILES notation for 3-ethyladamantan-1-ol?
The canonical SMILES for 3-ethyladamantan-1-ol is CCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-ethyladamantan-1-ol?
The InChIKey is LJFGNNHKXSJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-ethyladamantan-1-ol?
3-ethyladamantan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyladamantan-1-ol is sourced from PubChem (CID 3472936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).