2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane

C11H18O — CID 142266943

IUPAC2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane
SMILESC=CC1C(C)C2(C)CCC1(C)O2
InChIInChI=1S/C11H18O/c1-5-9-8(2)10(3)6-7-11(9,4)12-10/h5,8-9H,1,6-7H2,2-4H3
InChIKeyQGGFPNAVKLEXKZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds1

About 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane

2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 142266943) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane
PubChem CID142266943
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane
SMILESC=CC1C(C)C2(C)CCC1(C)O2
InChIInChI=1S/C11H18O/c1-5-9-8(2)10(3)6-7-11(9,4)12-10/h5,8-9H,1,6-7H2,2-4H3
InChIKeyQGGFPNAVKLEXKZ-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
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 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane (CID 142266943) is 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane is C=CC1C(C)C2(C)CCC1(C)O2.
What is the InChIKey of 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is QGGFPNAVKLEXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-9-8(2)10(3)6-7-11(9,4)12-10/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane?
2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 142266943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).