(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C18H24O2 — CID 118967569

IUPAC(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1C2C=CC(C2)C1COC(=O)C1C2C=CC(C2)C1C
InChIInChI=1S/C18H24O2/c1-10-12-3-5-14(7-12)16(10)9-20-18(19)17-11(2)13-4-6-15(17)8-13/h3-6,10-17H,7-9H2,1-2H3
InChIKeyLQACSWLGUZQIIQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.45
Rot. Bonds3

About (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 118967569) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID118967569
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1C2C=CC(C2)C1COC(=O)C1C2C=CC(C2)C1C
InChIInChI=1S/C18H24O2/c1-10-12-3-5-14(7-12)16(10)9-20-18(19)17-11(2)13-4-6-15(17)8-13/h3-6,10-17H,7-9H2,1-2H3
InChIKeyLQACSWLGUZQIIQ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.45
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 (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 118967569) is (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CC1C2C=CC(C2)C1COC(=O)C1C2C=CC(C2)C1C.
What is the InChIKey of (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is LQACSWLGUZQIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-10-12-3-5-14(7-12)16(10)9-20-18(19)17-11(2)13-4-6-15(17)8-13/h3-6,10-17H,7-9H2,1-2H3.
What are the key properties of (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 118967569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).