2-(2-hydroxyethyl)adamantan-2-ol

C12H20O2 — CID 24999293

IUPAC2-(2-hydroxyethyl)adamantan-2-ol
SMILESOCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O2/c13-2-1-12(14)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13-14H,1-7H2
InChIKeySJVRJXPRYGNERV-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-hydroxyethyl)adamantan-2-ol

2-(2-hydroxyethyl)adamantan-2-ol (PubChem CID 24999293) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)adamantan-2-ol
PubChem CID24999293
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(2-hydroxyethyl)adamantan-2-ol
SMILESOCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O2/c13-2-1-12(14)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13-14H,1-7H2
InChIKeySJVRJXPRYGNERV-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)adamantan-2-ol?
The IUPAC name of 2-(2-hydroxyethyl)adamantan-2-ol (CID 24999293) is 2-(2-hydroxyethyl)adamantan-2-ol.
What is the SMILES notation for 2-(2-hydroxyethyl)adamantan-2-ol?
The canonical SMILES for 2-(2-hydroxyethyl)adamantan-2-ol is OCCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-hydroxyethyl)adamantan-2-ol?
The InChIKey is SJVRJXPRYGNERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-2-1-12(14)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13-14H,1-7H2.
What are the key properties of 2-(2-hydroxyethyl)adamantan-2-ol?
2-(2-hydroxyethyl)adamantan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)adamantan-2-ol is sourced from PubChem (CID 24999293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).