1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C16H24O3 — CID 22023903

IUPAC1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(OC(=O)C1CC2C=CC1C2)OC1CCCCC1
InChIInChI=1S/C16H24O3/c1-11(18-14-5-3-2-4-6-14)19-16(17)15-10-12-7-8-13(15)9-12/h7-8,11-15H,2-6,9-10H2,1H3
InChIKeyADORMNPFRZAKAQ-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.44
Rot. Bonds4

About 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 22023903) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID22023903
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(OC(=O)C1CC2C=CC1C2)OC1CCCCC1
InChIInChI=1S/C16H24O3/c1-11(18-14-5-3-2-4-6-14)19-16(17)15-10-12-7-8-13(15)9-12/h7-8,11-15H,2-6,9-10H2,1H3
InChIKeyADORMNPFRZAKAQ-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 22023903) is 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC(OC(=O)C1CC2C=CC1C2)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is ADORMNPFRZAKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(18-14-5-3-2-4-6-14)19-16(17)15-10-12-7-8-13(15)9-12/h7-8,11-15H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 264.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 22023903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).