(1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate

C15H22O2 — CID 18513437

IUPAC(1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate
SMILESCCC1(OC(=O)C2CC3=CCC2C3)CCCC1
InChIInChI=1S/C15H22O2/c1-2-15(7-3-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h5,12-13H,2-4,6-10H2,1H3
InChIKeySFAGPZWBCBAJTP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds3

About (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate

(1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate (PubChem CID 18513437) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate
PubChem CID18513437
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate
SMILESCCC1(OC(=O)C2CC3=CCC2C3)CCCC1
InChIInChI=1S/C15H22O2/c1-2-15(7-3-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h5,12-13H,2-4,6-10H2,1H3
InChIKeySFAGPZWBCBAJTP-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate?
The IUPAC name of (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate (CID 18513437) is (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate.
What is the SMILES notation for (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate?
The canonical SMILES for (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate is CCC1(OC(=O)C2CC3=CCC2C3)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate?
The InChIKey is SFAGPZWBCBAJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-15(7-3-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h5,12-13H,2-4,6-10H2,1H3.
What are the key properties of (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate?
(1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate has a molecular weight of 234.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) bicyclo[2.2.1]hept-4-ene-2-carboxylate is sourced from PubChem (CID 18513437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).