(8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane

C10H16O2 — CID 134919560

IUPAC(8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane
SMILESCCO/C=C1/OC2CCCCC12
InChIInChI=1S/C10H16O2/c1-2-11-7-10-8-5-3-4-6-9(8)12-10/h7-9H,2-6H2,1H3/b10-7+
InChIKeyBQJWTRDZBUWSCB-JXMROGBWSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds2

About (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane

(8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane (PubChem CID 134919560) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane
PubChem CID134919560
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane
SMILESCCO/C=C1/OC2CCCCC12
InChIInChI=1S/C10H16O2/c1-2-11-7-10-8-5-3-4-6-9(8)12-10/h7-9H,2-6H2,1H3/b10-7+
InChIKeyBQJWTRDZBUWSCB-JXMROGBWSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethoxy-2-(1-ethoxyethenyl)cyclohexane;gold(1+)
CID 134837934
2-Cyclohexyl-4-methylideneoxetane
CID 102130498
1-Ethoxy-2-(1-ethoxyethenyl)cyclohexane
CID 134837935

Frequently Asked Questions

What is the IUPAC name of (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane?
The IUPAC name of (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane (CID 134919560) is (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane.
What is the SMILES notation for (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane?
The canonical SMILES for (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane is CCO/C=C1/OC2CCCCC12.
What is the InChIKey of (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane?
The InChIKey is BQJWTRDZBUWSCB-JXMROGBWSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-11-7-10-8-5-3-4-6-9(8)12-10/h7-9H,2-6H2,1H3/b10-7+.
What are the key properties of (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane?
(8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane has a molecular weight of 168.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-(ethoxymethylidene)-7-oxabicyclo[4.2.0]octane is sourced from PubChem (CID 134919560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).