1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H24O5 — CID 155012251

IUPAC1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(CC)OC(C)OC(=O)C1CC2C=CC1C2O
InChIInChI=1S/C15H24O5/c1-4-13(18-5-2)19-9(3)20-15(17)12-8-10-6-7-11(12)14(10)16/h6-7,9-14,16H,4-5,8H2,1-3H3
InChIKeyHBPYAOXXTZIYBP-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.85
Rot. Bonds7

About 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate

1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 155012251) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID155012251
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(CC)OC(C)OC(=O)C1CC2C=CC1C2O
InChIInChI=1S/C15H24O5/c1-4-13(18-5-2)19-9(3)20-15(17)12-8-10-6-7-11(12)14(10)16/h6-7,9-14,16H,4-5,8H2,1-3H3
InChIKeyHBPYAOXXTZIYBP-UHFFFAOYSA-N
XLogP1.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 155012251) is 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate is CCOC(CC)OC(C)OC(=O)C1CC2C=CC1C2O.
What is the InChIKey of 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is HBPYAOXXTZIYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-13(18-5-2)19-9(3)20-15(17)12-8-10-6-7-11(12)14(10)16/h6-7,9-14,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate?
1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropoxy)ethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 155012251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).