5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol

C16H26O2 — CID 69230423

IUPAC5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol
SMILESCC(C1CC2CC1CC2O)C1CC2CC1CC2O
InChIInChI=1S/C16H26O2/c1-8(13-4-11-2-9(13)6-15(11)17)14-5-12-3-10(14)7-16(12)18/h8-18H,2-7H2,1H3
InChIKeyBDIVBJKSKAOJGN-UHFFFAOYSA-N
MW250.38 g/mol
LogP2.44
Rot. Bonds2

About 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol

5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol (PubChem CID 69230423) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol
PubChem CID69230423
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol
SMILESCC(C1CC2CC1CC2O)C1CC2CC1CC2O
InChIInChI=1S/C16H26O2/c1-8(13-4-11-2-9(13)6-15(11)17)14-5-12-3-10(14)7-16(12)18/h8-18H,2-7H2,1H3
InChIKeyBDIVBJKSKAOJGN-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol (CID 69230423) is 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol is CC(C1CC2CC1CC2O)C1CC2CC1CC2O.
What is the InChIKey of 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is BDIVBJKSKAOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-8(13-4-11-2-9(13)6-15(11)17)14-5-12-3-10(14)7-16(12)18/h8-18H,2-7H2,1H3.
What are the key properties of 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol?
5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 69230423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).