(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

C20H28O2 — CID 15476300

IUPAC(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)C2CC3C=CC2C3)CC2CC1C1CCCC21
InChIInChI=1S/C20H28O2/c1-2-20(11-14-10-18(20)16-5-3-4-15(14)16)22-19(21)17-9-12-6-7-13(17)8-12/h6-7,12-18H,2-5,8-11H2,1H3
InChIKeyHENGTACWAHEURJ-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.35
Rot. Bonds3

About (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 15476300) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID15476300
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)C2CC3C=CC2C3)CC2CC1C1CCCC21
InChIInChI=1S/C20H28O2/c1-2-20(11-14-10-18(20)16-5-3-4-15(14)16)22-19(21)17-9-12-6-7-13(17)8-12/h6-7,12-18H,2-5,8-11H2,1H3
InChIKeyHENGTACWAHEURJ-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.35
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 (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 15476300) is (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC1(OC(=O)C2CC3C=CC2C3)CC2CC1C1CCCC21.
What is the InChIKey of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is HENGTACWAHEURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-2-20(11-14-10-18(20)16-5-3-4-15(14)16)22-19(21)17-9-12-6-7-13(17)8-12/h6-7,12-18H,2-5,8-11H2,1H3.
What are the key properties of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 15476300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).