methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate

C10H14O4 — CID 132551546

IUPACmethyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1(C)C2CC(=O)C(C2)C1O
InChIInChI=1S/C10H14O4/c1-10(9(13)14-2)5-3-6(8(10)12)7(11)4-5/h5-6,8,12H,3-4H2,1-2H3
InChIKeyZATQVHMJBBNKBZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.14
Rot. Bonds1

About methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate

methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 132551546) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate
PubChem CID132551546
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1(C)C2CC(=O)C(C2)C1O
InChIInChI=1S/C10H14O4/c1-10(9(13)14-2)5-3-6(8(10)12)7(11)4-5/h5-6,8,12H,3-4H2,1-2H3
InChIKeyZATQVHMJBBNKBZ-UHFFFAOYSA-N
XLogP0.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

5OH-Hic
CID 90658696
6-Hydroxyfenchone
CID 14606066
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 2750884
6-exo-Hydroxyfenchone
CID 101379801
6-endo-Hydroxyfenchone
CID 101379802
2-Hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 2770860
Cambridge id 7203699
CID 23679227
Bicyclo[2.2.1]heptane-2,3-dione, 6-(acetyloxy)-1,5,5-trimethyl-, endo-
CID 538909
3-Hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 22352097
(1R,2S,3S,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 6543878
(1R,2S,3R,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 7054452
(1r,4s,6r)-6-Hydroxyfenchone
CID 101741819

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate (CID 132551546) is methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate is COC(=O)C1(C)C2CC(=O)C(C2)C1O.
What is the InChIKey of methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is ZATQVHMJBBNKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(9(13)14-2)5-3-6(8(10)12)7(11)4-5/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate?
methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-5-oxobicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 132551546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).