methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate

C11H18O2 — CID 67558569

IUPACmethyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
SMILESCOC(=O)C[C@@]1(C)C[C@H]2CCC[C@H]21
InChIInChI=1S/C11H18O2/c1-11(7-10(12)13-2)6-8-4-3-5-9(8)11/h8-9H,3-7H2,1-2H3/t8-,9-,11-/m1/s1
InChIKeyJFJXMGCCBYQXSS-FXPVBKGRSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds2

About methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate

methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate (PubChem CID 67558569) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
PubChem CID67558569
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
SMILESCOC(=O)C[C@@]1(C)C[C@H]2CCC[C@H]21
InChIInChI=1S/C11H18O2/c1-11(7-10(12)13-2)6-8-4-3-5-9(8)11/h8-9H,3-7H2,1-2H3/t8-,9-,11-/m1/s1
InChIKeyJFJXMGCCBYQXSS-FXPVBKGRSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate?
The IUPAC name of methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate (CID 67558569) is methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate.
What is the SMILES notation for methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate?
The canonical SMILES for methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate is COC(=O)C[C@@]1(C)C[C@H]2CCC[C@H]21.
What is the InChIKey of methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate?
The InChIKey is JFJXMGCCBYQXSS-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(7-10(12)13-2)6-8-4-3-5-9(8)11/h8-9H,3-7H2,1-2H3/t8-,9-,11-/m1/s1.
What are the key properties of methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate?
methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate has a molecular weight of 182.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate is sourced from PubChem (CID 67558569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).