prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

C12H16O2 — CID 71416186

IUPACprop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESC=CCOC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C12H16O2/c1-2-5-14-12(13)8-11-7-9-3-4-10(11)6-9/h2-4,9-11H,1,5-8H2
InChIKeyXDPCLGUUPITTJX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds4

About prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (PubChem CID 71416186) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
PubChem CID71416186
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameprop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESC=CCOC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C12H16O2/c1-2-5-14-12(13)8-11-7-9-3-4-10(11)6-9/h2-4,9-11H,1,5-8H2
InChIKeyXDPCLGUUPITTJX-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The IUPAC name of prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (CID 71416186) is prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.
What is the SMILES notation for prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The canonical SMILES for prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is C=CCOC(=O)CC1CC2C=CC1C2.
What is the InChIKey of prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The InChIKey is XDPCLGUUPITTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-5-14-12(13)8-11-7-9-3-4-10(11)6-9/h2-4,9-11H,1,5-8H2.
What are the key properties of prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate has a molecular weight of 192.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is sourced from PubChem (CID 71416186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).