(1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

C19H26O2 — CID 21136894

IUPAC(1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OC1(C2CCCCC2)C=CCC1)C1CC2C=CC1C2
InChIInChI=1S/C19H26O2/c20-18(17-13-14-8-9-15(17)12-14)21-19(10-4-5-11-19)16-6-2-1-3-7-16/h4,8-10,14-17H,1-3,5-7,11-13H2
InChIKeyDZSNTUSPZVKKGD-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.41
Rot. Bonds3

About (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

(1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 21136894) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID21136894
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OC1(C2CCCCC2)C=CCC1)C1CC2C=CC1C2
InChIInChI=1S/C19H26O2/c20-18(17-13-14-8-9-15(17)12-14)21-19(10-4-5-11-19)16-6-2-1-3-7-16/h4,8-10,14-17H,1-3,5-7,11-13H2
InChIKeyDZSNTUSPZVKKGD-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.41
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-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 21136894) is (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is O=C(OC1(C2CCCCC2)C=CCC1)C1CC2C=CC1C2.
What is the InChIKey of (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is DZSNTUSPZVKKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-18(17-13-14-8-9-15(17)12-14)21-19(10-4-5-11-19)16-6-2-1-3-7-16/h4,8-10,14-17H,1-3,5-7,11-13H2.
What are the key properties of (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclopent-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 21136894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).