1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone

C12H20O2 — CID 73083158

IUPAC1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
SMILESCC(=O)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H20O2/c1-8(13)12(14)7-9-5-6-11(12,4)10(9,2)3/h9,14H,5-7H2,1-4H3
InChIKeyLJPHLAJBHFCHOY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.15
Rot. Bonds1

About 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone

1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 73083158) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID73083158
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
SMILESCC(=O)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H20O2/c1-8(13)12(14)7-9-5-6-11(12,4)10(9,2)3/h9,14H,5-7H2,1-4H3
InChIKeyLJPHLAJBHFCHOY-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone (CID 73083158) is 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone is CC(=O)C1(O)CC2CCC1(C)C2(C)C.
What is the InChIKey of 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is LJPHLAJBHFCHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(13)12(14)7-9-5-6-11(12,4)10(9,2)3/h9,14H,5-7H2,1-4H3.
What are the key properties of 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone?
1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 73083158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).