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

C11H16O2 — CID 59748190

IUPAC(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
SMILESCCC1C2C=CC(C2)C1OC(C)=O
InChIInChI=1S/C11H16O2/c1-3-10-8-4-5-9(6-8)11(10)13-7(2)12/h4-5,8-11H,3,6H2,1-2H3
InChIKeyVDQZVTYFSDOTLH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.15
Rot. Bonds2

About (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate

(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate (PubChem CID 59748190) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate.

Molecular Properties

Compound Name(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
PubChem CID59748190
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
SMILESCCC1C2C=CC(C2)C1OC(C)=O
InChIInChI=1S/C11H16O2/c1-3-10-8-4-5-9(6-8)11(10)13-7(2)12/h4-5,8-11H,3,6H2,1-2H3
InChIKeyVDQZVTYFSDOTLH-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-propyl-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 59748330
(3-chloro-2-bicyclo[2.2.1]hept-5-enyl) acetate
CID 66903254
(7-acetyloxy-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl) acetate
CID 139797062
(10-acetyloxy-11-oxatetracyclo[6.2.1.13,6.02,7]dodec-4-en-9-yl) acetate
CID 139828832
1-(3-ethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
CID 15749260
2-hydroxyethyl 3-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68584016
4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide
CID 59748366
5-ethyl-6-methoxybicyclo[2.2.1]hept-2-ene;palladium;1-propylcyclobuta-1,2-diene
CID 143325802
5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene
CID 154358020
[(1R,2S,3R,4S)-3-[[(2S)-2-aminopropanoyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl (2S)-2-aminopropanoate
CID 102424362
(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 130985593
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate?
The IUPAC name of (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate (CID 59748190) is (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate.
What is the SMILES notation for (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate?
The canonical SMILES for (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate is CCC1C2C=CC(C2)C1OC(C)=O.
What is the InChIKey of (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate?
The InChIKey is VDQZVTYFSDOTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-10-8-4-5-9(6-8)11(10)13-7(2)12/h4-5,8-11H,3,6H2,1-2H3.
What are the key properties of (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate?
(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate has a molecular weight of 180.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-bicyclo[2.2.1]hept-5-enyl) acetate is sourced from PubChem (CID 59748190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).