2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene

C8H10O — CID 23431526

IUPAC2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESC=CC1=C2OC2CCC1
InChIInChI=1S/C8H10O/c1-2-6-4-3-5-7-8(6)9-7/h2,7H,1,3-5H2
InChIKeyAYSTWWKSERODQG-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.01
Rot. Bonds1

About 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene

2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene (PubChem CID 23431526) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene
PubChem CID23431526
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene
SMILESC=CC1=C2OC2CCC1
InChIInChI=1S/C8H10O/c1-2-6-4-3-5-7-8(6)9-7/h2,7H,1,3-5H2
InChIKeyAYSTWWKSERODQG-UHFFFAOYSA-N
XLogP2.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydronaphtho-oxirene
CID 87624970
13-Oxabicyclo(10.1.0)tridecadiene
CID 6451868
(3Z)-13-oxabicyclo[10.1.0]trideca-1,3-diene
CID 91979993
2-(Cyclohexa-1,3-dien-1-ylmethyl)oxirane
CID 21958325
2-Ethyl-7-oxabicyclo[4.1.0]hept-1-ene
CID 88809915
5,6,7,8,9,9a-Hexahydrocyclohepta[b]pyran
CID 141043290
2-[(2-Methoxycyclohexa-1,3-dien-1-yl)methyl]oxirane
CID 143183936
2-(Cyclohexen-1-yl)oxepine
CID 173119329
2-Prop-2-enyl-7-oxabicyclo[4.1.0]hept-1-ene
CID 173289057
(1Z,3E)-13-oxabicyclo[10.1.0]trideca-1,3-diene
CID 23305469
13-Oxabicyclo[10.1.0]trideca-1,3-diene
CID 53422649

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene?
The IUPAC name of 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene (CID 23431526) is 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene is C=CC1=C2OC2CCC1.
What is the InChIKey of 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene?
The InChIKey is AYSTWWKSERODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-6-4-3-5-7-8(6)9-7/h2,7H,1,3-5H2.
What are the key properties of 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene?
2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene has a molecular weight of 122.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-7-oxabicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 23431526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).