5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene

C10H14O — CID 23119546

IUPAC5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESC=COCC1CC2C=CC1C2
InChIInChI=1S/C10H14O/c1-2-11-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2
InChIKeyDLESUXQMBHXWLK-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.36
Rot. Bonds3

About 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 23119546) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID23119546
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESC=COCC1CC2C=CC1C2
InChIInChI=1S/C10H14O/c1-2-11-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2
InChIKeyDLESUXQMBHXWLK-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 23119546) is 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene is C=COCC1CC2C=CC1C2.
What is the InChIKey of 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is DLESUXQMBHXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-11-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2.
What are the key properties of 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 150.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethenoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23119546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).