2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C20H26O4 — CID 19706220

IUPAC2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(C(=O)OCCOC(=O)C2(C)CC3C=CC2C3)CC2C=CC1C2
InChIInChI=1S/C20H26O4/c1-19(11-13-3-5-15(19)9-13)17(21)23-7-8-24-18(22)20(2)12-14-4-6-16(20)10-14/h3-6,13-16H,7-12H2,1-2H3
InChIKeyCPGVHYQUENGQNR-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.28
Rot. Bonds5

About 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 19706220) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID19706220
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(C(=O)OCCOC(=O)C2(C)CC3C=CC2C3)CC2C=CC1C2
InChIInChI=1S/C20H26O4/c1-19(11-13-3-5-15(19)9-13)17(21)23-7-8-24-18(22)20(2)12-14-4-6-16(20)10-14/h3-6,13-16H,7-12H2,1-2H3
InChIKeyCPGVHYQUENGQNR-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 19706220) is 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CC1(C(=O)OCCOC(=O)C2(C)CC3C=CC2C3)CC2C=CC1C2.
What is the InChIKey of 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is CPGVHYQUENGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-19(11-13-3-5-15(19)9-13)17(21)23-7-8-24-18(22)20(2)12-14-4-6-16(20)10-14/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 330.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxyethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 19706220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).