(5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene

C10H14O — CID 5371236

IUPAC(5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene
SMILESCO/C=C1\CC2C=CC1CC2
InChIInChI=1S/C10H14O/c1-11-7-10-6-8-2-4-9(10)5-3-8/h2,4,7-9H,3,5-6H2,1H3/b10-7+
InChIKeyPNUNKHSNGZINJB-JXMROGBWSA-N
MW150.22 g/mol
LogP2.50
Rot. Bonds1

About (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene

(5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene (PubChem CID 5371236) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name(5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene
PubChem CID5371236
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene
SMILESCO/C=C1\CC2C=CC1CC2
InChIInChI=1S/C10H14O/c1-11-7-10-6-8-2-4-9(10)5-3-8/h2,4,7-9H,3,5-6H2,1H3/b10-7+
InChIKeyPNUNKHSNGZINJB-JXMROGBWSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.50
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 (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene?
The IUPAC name of (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene (CID 5371236) is (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene?
The canonical SMILES for (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene is CO/C=C1\CC2C=CC1CC2.
What is the InChIKey of (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene?
The InChIKey is PNUNKHSNGZINJB-JXMROGBWSA-N. The full InChI is InChI=1S/C10H14O/c1-11-7-10-6-8-2-4-9(10)5-3-8/h2,4,7-9H,3,5-6H2,1H3/b10-7+.
What are the key properties of (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene?
(5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene has a molecular weight of 150.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(methoxymethylidene)bicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 5371236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).