[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate

C16H24O2 — CID 134285849

IUPAC[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate
SMILESC[C@@]1(OC(=O)C2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C16H24O2/c1-16(9-11-3-5-13(16)7-11)18-15(17)14-8-10-2-4-12(14)6-10/h10-14H,2-9H2,1H3/t10?,11?,12?,13?,14?,16-/m1/s1
InChIKeyNVJDGOUJHQEQOQ-ALBOGACASA-N
MW248.37 g/mol
LogP3.54
Rot. Bonds2

About [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate

[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 134285849) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID134285849
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate
SMILESC[C@@]1(OC(=O)C2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C16H24O2/c1-16(9-11-3-5-13(16)7-11)18-15(17)14-8-10-2-4-12(14)6-10/h10-14H,2-9H2,1H3/t10?,11?,12?,13?,14?,16-/m1/s1
InChIKeyNVJDGOUJHQEQOQ-ALBOGACASA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

[(1R,2R,4S)-2-ethyl-2-bicyclo[2.2.1]heptanyl] (1R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 91342821
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 134309639
tert-butyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate;ditert-butyl bicyclo[2.2.1]heptane-2,3-dicarboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate;2-methylbutan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-methylbutan-2-yl 7-oxabicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;methylsilane
CID 159357290
1-O-methyl 4-O-(2-methyl-2-bicyclo[2.2.1]heptanyl) (E)-but-2-enedioate
CID 20700762
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl] 4-[4-[[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]oxycarbonyl]phenyl]benzoate
CID 91269262
ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate
CID 91327954
tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;ethane
CID 91480700
[bicyclo[2.2.1]heptane-2-carbonyloxy(methoxy)methyl] bicyclo[2.2.1]heptane-2-carboxylate
CID 20702523
(2-ethyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 159326494
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-tert-butyl-2-fluoro-4-methylpent-3-enoate
CID 71196222

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate (CID 134285849) is [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate is C[C@@]1(OC(=O)C2CC3CCC2C3)CC2CCC1C2.
What is the InChIKey of [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is NVJDGOUJHQEQOQ-ALBOGACASA-N. The full InChI is InChI=1S/C16H24O2/c1-16(9-11-3-5-13(16)7-11)18-15(17)14-8-10-2-4-12(14)6-10/h10-14H,2-9H2,1H3/t10?,11?,12?,13?,14?,16-/m1/s1.
What are the key properties of [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate?
[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 248.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 134285849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).