8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene

C11H16O — CID 596294

IUPAC8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene
SMILESC=CCC1(C)CC2=CCOCC21
InChIInChI=1S/C11H16O/c1-3-5-11(2)7-9-4-6-12-8-10(9)11/h3-4,10H,1,5-8H2,2H3
InChIKeyWBPCCBXJWOBBID-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds2

About 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene

8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene (PubChem CID 596294) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene.

Molecular Properties

Compound Name8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene
PubChem CID596294
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene
SMILESC=CCC1(C)CC2=CCOCC21
InChIInChI=1S/C11H16O/c1-3-5-11(2)7-9-4-6-12-8-10(9)11/h3-4,10H,1,5-8H2,2H3
InChIKeyWBPCCBXJWOBBID-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene?
The IUPAC name of 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene (CID 596294) is 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene.
What is the SMILES notation for 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene?
The canonical SMILES for 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene is C=CCC1(C)CC2=CCOCC21.
What is the InChIKey of 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene?
The InChIKey is WBPCCBXJWOBBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-11(2)7-9-4-6-12-8-10(9)11/h3-4,10H,1,5-8H2,2H3.
What are the key properties of 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene?
8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene has a molecular weight of 164.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-prop-2-enyl-3-oxabicyclo[4.2.0]oct-5-ene is sourced from PubChem (CID 596294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).