2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate

C11H16O3 — CID 22336781

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CC2C=CC1C2
InChIInChI=1S/C11H16O3/c1-2-13-11(12)14-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyBJVMGUDDQUGAQW-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.37
Rot. Bonds3

About 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate

2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate (PubChem CID 22336781) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate
PubChem CID22336781
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CC2C=CC1C2
InChIInChI=1S/C11H16O3/c1-2-13-11(12)14-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyBJVMGUDDQUGAQW-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate (CID 22336781) is 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate is CCOC(=O)OCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate?
The InChIKey is BJVMGUDDQUGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-13-11(12)14-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate?
2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate has a molecular weight of 196.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate is sourced from PubChem (CID 22336781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).