2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene

C9H12O — CID 173289057

IUPAC2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESC=CCC1=C2OC2CCC1
InChIInChI=1S/C9H12O/c1-2-4-7-5-3-6-8-9(7)10-8/h2,8H,1,3-6H2
InChIKeyKMFVSTNSKXUGDT-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.40
Rot. Bonds2

About 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene

2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene (PubChem CID 173289057) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene
PubChem CID173289057
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESC=CCC1=C2OC2CCC1
InChIInChI=1S/C9H12O/c1-2-4-7-5-3-6-8-9(7)10-8/h2,8H,1,3-6H2
InChIKeyKMFVSTNSKXUGDT-UHFFFAOYSA-N
XLogP2.40
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene?
The IUPAC name of 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene (CID 173289057) is 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene is C=CCC1=C2OC2CCC1.
What is the InChIKey of 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene?
The InChIKey is KMFVSTNSKXUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-4-7-5-3-6-8-9(7)10-8/h2,8H,1,3-6H2.
What are the key properties of 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene?
2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene has a molecular weight of 136.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 173289057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).