2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H22O4 — CID 155012206

IUPAC2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OCCOC1CCCCO1)C1CC2C=CC1C2
InChIInChI=1S/C15H22O4/c16-15(13-10-11-4-5-12(13)9-11)19-8-7-18-14-3-1-2-6-17-14/h4-5,11-14H,1-3,6-10H2
InChIKeyUKQOAMNKPLVABS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.29
Rot. Bonds5

About 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 155012206) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID155012206
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OCCOC1CCCCO1)C1CC2C=CC1C2
InChIInChI=1S/C15H22O4/c16-15(13-10-11-4-5-12(13)9-11)19-8-7-18-14-3-1-2-6-17-14/h4-5,11-14H,1-3,6-10H2
InChIKeyUKQOAMNKPLVABS-UHFFFAOYSA-N
XLogP2.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-Acetyloxy-5,5-difluoro-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 59310537
[4-Acetyloxy-4-(trifluoromethyl)-1,3-dioxan-2-yl]methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 89786671
Oxan-2-yl 3-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 139797126
Oxan-2-yl 2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 139900061
ethyl 2-[(1R,5R,6S)-6-(1,3-dioxolan-2-yl)-5,6-dimethylcyclohex-2-en-1-yl]acetate
CID 44603759
Ethyl 3-(diethoxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 12800679
Ethoxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18684327
1-[1-(Bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxymethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18716717
(6-Oxooxan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 20736084
1-(Bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 21525872
2-Tetrahydrofuranyl 5-norbornen-2-carboxylate
CID 21922319
2-Tetrahydropyranyl 5-norbornene-2-carboxylate
CID 21922341

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 155012206) is 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is O=C(OCCOC1CCCCO1)C1CC2C=CC1C2.
What is the InChIKey of 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is UKQOAMNKPLVABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c16-15(13-10-11-4-5-12(13)9-11)19-8-7-18-14-3-1-2-6-17-14/h4-5,11-14H,1-3,6-10H2.
What are the key properties of 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 155012206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).