2-ethenyladamantan-2-ol

C12H18O — CID 10821208

IUPAC2-ethenyladamantan-2-ol
SMILESC=CC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18O/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11,13H,1,3-7H2
InChIKeyUIZDKBJUQISNGN-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.36
Rot. Bonds1

About 2-ethenyladamantan-2-ol

2-ethenyladamantan-2-ol (PubChem CID 10821208) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-ethenyladamantan-2-ol.

Molecular Properties

Compound Name2-ethenyladamantan-2-ol
PubChem CID10821208
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-ethenyladamantan-2-ol
SMILESC=CC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18O/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11,13H,1,3-7H2
InChIKeyUIZDKBJUQISNGN-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyladamantan-2-ol?
The IUPAC name of 2-ethenyladamantan-2-ol (CID 10821208) is 2-ethenyladamantan-2-ol.
What is the SMILES notation for 2-ethenyladamantan-2-ol?
The canonical SMILES for 2-ethenyladamantan-2-ol is C=CC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethenyladamantan-2-ol?
The InChIKey is UIZDKBJUQISNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11,13H,1,3-7H2.
What are the key properties of 2-ethenyladamantan-2-ol?
2-ethenyladamantan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyladamantan-2-ol is sourced from PubChem (CID 10821208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).