[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate

C14H24O2 — CID 70995611

IUPAC[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate
SMILESCCCC(=O)OCC1C[C@H]2C[C@@H]1C(C)C2C
InChIInChI=1S/C14H24O2/c1-4-5-14(15)16-8-12-6-11-7-13(12)10(3)9(11)2/h9-13H,4-8H2,1-3H3/t9?,10?,11-,12?,13+/m0/s1
InChIKeyIZLODEDWZJIEGD-GOHYKSBFSA-N
MW224.34 g/mol
LogP3.26
Rot. Bonds4

About [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate

[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate (PubChem CID 70995611) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate.

Molecular Properties

Compound Name[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate
PubChem CID70995611
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate
SMILESCCCC(=O)OCC1C[C@H]2C[C@@H]1C(C)C2C
InChIInChI=1S/C14H24O2/c1-4-5-14(15)16-8-12-6-11-7-13(12)10(3)9(11)2/h9-13H,4-8H2,1-3H3/t9?,10?,11-,12?,13+/m0/s1
InChIKeyIZLODEDWZJIEGD-GOHYKSBFSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate?
The IUPAC name of [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate (CID 70995611) is [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate.
What is the SMILES notation for [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate?
The canonical SMILES for [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate is CCCC(=O)OCC1C[C@H]2C[C@@H]1C(C)C2C.
What is the InChIKey of [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate?
The InChIKey is IZLODEDWZJIEGD-GOHYKSBFSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-14(15)16-8-12-6-11-7-13(12)10(3)9(11)2/h9-13H,4-8H2,1-3H3/t9?,10?,11-,12?,13+/m0/s1.
What are the key properties of [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate?
[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate has a molecular weight of 224.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate is sourced from PubChem (CID 70995611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).