7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

C10H16O2 — CID 72544043

IUPAC7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C(=O)C2(C)CCC1C2O
InChIInChI=1S/C10H16O2/c1-9(2)6-4-5-10(3,7(6)11)8(9)12/h6-7,11H,4-5H2,1-3H3
InChIKeyVTLIGYFZUGDYFX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds

About 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 72544043) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID72544043
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C(=O)C2(C)CCC1C2O
InChIInChI=1S/C10H16O2/c1-9(2)6-4-5-10(3,7(6)11)8(9)12/h6-7,11H,4-5H2,1-3H3
InChIKeyVTLIGYFZUGDYFX-UHFFFAOYSA-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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Related Compounds

(+)-exo-5-Hydroxycamphor
CID 447414
5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 189214
(1S,4S,5S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 21145050
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 287668
6-Hydroxycamphor
CID 25478
1-Hydroxymethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 572679
(+)-6-Endo-hydroxycamphor
CID 57339278
3-(Hydroxymethyl)-1,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 14080459
Oxyfenchon
CID 129636129
(1R,4R,5S,7R,8R)-7-(hydroxymethyl)-1,8-dimethyl-4-propan-2-ylbicyclo[3.2.1]octan-6-one
CID 12038768
Hydroxy-3-endo-bornanone-2
CID 140836
2-Bornanone, 3-hydroxy-, exo-
CID 185510

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (CID 72544043) is 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one is CC1(C)C(=O)C2(C)CCC1C2O.
What is the InChIKey of 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is VTLIGYFZUGDYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)6-4-5-10(3,7(6)11)8(9)12/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-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 7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 72544043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).