(1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one

C10H16O2 — CID 11073817

IUPAC(1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one
SMILESC[C@@H]1C(=O)C[C@H]2C[C@@H]1C[C@]2(C)O
InChIInChI=1S/C10H16O2/c1-6-7-3-8(4-9(6)11)10(2,12)5-7/h6-8,12H,3-5H2,1-2H3/t6-,7+,8+,10-/m0/s1
InChIKeyYUYJVQPRUPYIPD-WHQQTDPMSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds

About (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one

(1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one (PubChem CID 11073817) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one
PubChem CID11073817
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one
SMILESC[C@@H]1C(=O)C[C@H]2C[C@@H]1C[C@]2(C)O
InChIInChI=1S/C10H16O2/c1-6-7-3-8(4-9(6)11)10(2,12)5-7/h6-8,12H,3-5H2,1-2H3/t6-,7+,8+,10-/m0/s1
InChIKeyYUYJVQPRUPYIPD-WHQQTDPMSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one (CID 11073817) is (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one is C[C@@H]1C(=O)C[C@H]2C[C@@H]1C[C@]2(C)O.
What is the InChIKey of (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one?
The InChIKey is YUYJVQPRUPYIPD-WHQQTDPMSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7-3-8(4-9(6)11)10(2,12)5-7/h6-8,12H,3-5H2,1-2H3/t6-,7+,8+,10-/m0/s1.
What are the key properties of (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one?
(1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S)-6-hydroxy-2,6-dimethylbicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 11073817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).