5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene

C9H12O — CID 66874661

IUPAC5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene
SMILESCC=CC1=CC2CC1CO2
InChIInChI=1S/C9H12O/c1-2-3-7-4-9-5-8(7)6-10-9/h2-4,8-9H,5-6H2,1H3
InChIKeyJNNNXOSIZDLORW-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.91
Rot. Bonds1

About 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene

5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene (PubChem CID 66874661) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene
PubChem CID66874661
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene
SMILESCC=CC1=CC2CC1CO2
InChIInChI=1S/C9H12O/c1-2-3-7-4-9-5-8(7)6-10-9/h2-4,8-9H,5-6H2,1H3
InChIKeyJNNNXOSIZDLORW-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene (CID 66874661) is 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene is CC=CC1=CC2CC1CO2.
What is the InChIKey of 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene?
The InChIKey is JNNNXOSIZDLORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-3-7-4-9-5-8(7)6-10-9/h2-4,8-9H,5-6H2,1H3.
What are the key properties of 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene?
5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene has a molecular weight of 136.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyl-2-oxabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 66874661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).