5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene

C14H24O2 — CID 23382837

IUPAC5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCOC(OCC)C1C2C=CC(C2)C1CC
InChIInChI=1S/C14H24O2/c1-4-12-10-7-8-11(9-10)13(12)14(15-5-2)16-6-3/h7-8,10-14H,4-6,9H2,1-3H3
InChIKeyAPOBRRGAYQOQTM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.23
Rot. Bonds6

About 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene

5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene (PubChem CID 23382837) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene
PubChem CID23382837
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCOC(OCC)C1C2C=CC(C2)C1CC
InChIInChI=1S/C14H24O2/c1-4-12-10-7-8-11(9-10)13(12)14(15-5-2)16-6-3/h7-8,10-14H,4-6,9H2,1-3H3
InChIKeyAPOBRRGAYQOQTM-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,7-Methano-1H-indene, 6-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-
CID 106726
4,7-Methano-1H-indene, 5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-
CID 106725
Carbonic acid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ethyl ester
CID 22336781
2'-(3-Cyclohexen-1-yl)spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]
CID 107116
5-Norbornene-2-carboxaldehyde dimethyl acetal
CID 20707338
5-(Octaoxymethyl)-2-norbornene
CID 86185185
2-Bicyclo[2.2.1]hept-5-enylmethyl tert-butyl carbonate
CID 134863590
2-Methylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134895236
5-[3,3,3-Trifluoro-2-(methoxymethoxy)-2-methylpropyl]bicyclo[2.2.1]hept-2-ene
CID 20813309
5-[2-(Ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 21362176
5-[2-(1-Ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 22281044
5-[2-(1-Ethoxyethoxy)-1,1,1-trifluoropropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 22320018

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene (CID 23382837) is 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene is CCOC(OCC)C1C2C=CC(C2)C1CC.
What is the InChIKey of 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is APOBRRGAYQOQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-12-10-7-8-11(9-10)13(12)14(15-5-2)16-6-3/h7-8,10-14H,4-6,9H2,1-3H3.
What are the key properties of 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene?
5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 224.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-6-ethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23382837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).