(1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol

C16H28O2 — CID 67679794

IUPAC(1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol
SMILESOCCC1CC2CCC1C2.O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O.C7H12O/c10-4-3-9-6-7-1-2-8(9)5-7;8-7-4-5-1-2-6(7)3-5/h7-10H,1-6H2;5-8H,1-4H2/t;5-,6+,7-/m.0/s1
InChIKeyKKHLZVIDXVILMI-LPXHZEAVSA-N
MW252.40 g/mol
LogP2.97
Rot. Bonds2

About (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol

(1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol (PubChem CID 67679794) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol.

Molecular Properties

Compound Name(1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol
PubChem CID67679794
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol
SMILESOCCC1CC2CCC1C2.O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O.C7H12O/c10-4-3-9-6-7-1-2-8(9)5-7;8-7-4-5-1-2-6(7)3-5/h7-10H,1-6H2;5-8H,1-4H2/t;5-,6+,7-/m.0/s1
InChIKeyKKHLZVIDXVILMI-LPXHZEAVSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol?
The IUPAC name of (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol (CID 67679794) is (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol.
What is the SMILES notation for (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol?
The canonical SMILES for (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol is OCCC1CC2CCC1C2.O[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol?
The InChIKey is KKHLZVIDXVILMI-LPXHZEAVSA-N. The full InChI is InChI=1S/C9H16O.C7H12O/c10-4-3-9-6-7-1-2-8(9)5-7;8-7-4-5-1-2-6(7)3-5/h7-10H,1-6H2;5-8H,1-4H2/t;5-,6+,7-/m.0/s1.
What are the key properties of (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol?
(1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol has a molecular weight of 252.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-bicyclo[2.2.1]heptan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)ethanol is sourced from PubChem (CID 67679794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).