methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate

C10H12O2 — CID 89108364

IUPACmethyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate
SMILESCOC(=O)CC1CC2C=CC1=C2
InChIInChI=1S/C10H12O2/c1-12-10(11)6-9-5-7-2-3-8(9)4-7/h2-4,7,9H,5-6H2,1H3
InChIKeyWQPULTYFJHNXGF-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.68
Rot. Bonds2

About methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate

methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate (PubChem CID 89108364) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate
PubChem CID89108364
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namemethyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate
SMILESCOC(=O)CC1CC2C=CC1=C2
InChIInChI=1S/C10H12O2/c1-12-10(11)6-9-5-7-2-3-8(9)4-7/h2-4,7,9H,5-6H2,1H3
InChIKeyWQPULTYFJHNXGF-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate?
The IUPAC name of methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate (CID 89108364) is methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate.
What is the SMILES notation for methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate?
The canonical SMILES for methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate is COC(=O)CC1CC2C=CC1=C2.
What is the InChIKey of methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate?
The InChIKey is WQPULTYFJHNXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-10(11)6-9-5-7-2-3-8(9)4-7/h2-4,7,9H,5-6H2,1H3.
What are the key properties of methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate?
methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate has a molecular weight of 164.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bicyclo[2.2.1]hepta-1(7),5-dienyl)acetate is sourced from PubChem (CID 89108364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).