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

C15H20O2 — CID 22967732

IUPAC(1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(OC(=O)C2CC3C=CC2C3)C=CCCC1
InChIInChI=1S/C15H20O2/c1-15(7-3-2-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h3,5-7,11-13H,2,4,8-10H2,1H3
InChIKeyJULVWONTBZOVGR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.24
Rot. Bonds2

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

(1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 22967732) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID22967732
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(OC(=O)C2CC3C=CC2C3)C=CCCC1
InChIInChI=1S/C15H20O2/c1-15(7-3-2-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h3,5-7,11-13H,2,4,8-10H2,1H3
InChIKeyJULVWONTBZOVGR-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.24
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-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 22967732) is (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC1(OC(=O)C2CC3C=CC2C3)C=CCCC1.
What is the InChIKey of (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is JULVWONTBZOVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(7-3-2-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11/h3,5-7,11-13H,2,4,8-10H2,1H3.
What are the key properties of (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohex-2-en-1-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 22967732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).