2-(2-adamantyl)ethanol

C12H20O — CID 15359283

IUPAC2-(2-adamantyl)ethanol
SMILESOCCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,1-7H2
InChIKeyRBCVHZUCLVUJGR-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.44
Rot. Bonds2

About 2-(2-adamantyl)ethanol

2-(2-adamantyl)ethanol (PubChem CID 15359283) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(2-adamantyl)ethanol.

Molecular Properties

Compound Name2-(2-adamantyl)ethanol
PubChem CID15359283
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(2-adamantyl)ethanol
SMILESOCCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,1-7H2
InChIKeyRBCVHZUCLVUJGR-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)ethanol?
The IUPAC name of 2-(2-adamantyl)ethanol (CID 15359283) is 2-(2-adamantyl)ethanol.
What is the SMILES notation for 2-(2-adamantyl)ethanol?
The canonical SMILES for 2-(2-adamantyl)ethanol is OCCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyl)ethanol?
The InChIKey is RBCVHZUCLVUJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,1-7H2.
What are the key properties of 2-(2-adamantyl)ethanol?
2-(2-adamantyl)ethanol has a molecular weight of 180.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)ethanol is sourced from PubChem (CID 15359283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).