3-methyl-2-oxabicyclo[3.2.1]oct-3-ene

C8H12O — CID 167253968

IUPAC3-methyl-2-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CC2CCC(C2)O1
InChIInChI=1S/C8H12O/c1-6-4-7-2-3-8(5-7)9-6/h4,7-8H,2-3,5H2,1H3
InChIKeyDWWFLJYIOUKNHA-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.09
Rot. Bonds

About 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene

3-methyl-2-oxabicyclo[3.2.1]oct-3-ene (PubChem CID 167253968) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name3-methyl-2-oxabicyclo[3.2.1]oct-3-ene
PubChem CID167253968
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-methyl-2-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CC2CCC(C2)O1
InChIInChI=1S/C8H12O/c1-6-4-7-2-3-8(5-7)9-6/h4,7-8H,2-3,5H2,1H3
InChIKeyDWWFLJYIOUKNHA-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,5S)-3-bicyclo[3.2.1]oct-2-enyl]-trimethylsilane
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CID 123527632
2-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
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2-(2-bicyclo[2.2.1]hept-2-enyl)-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene?
The IUPAC name of 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene (CID 167253968) is 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene is CC1=CC2CCC(C2)O1.
What is the InChIKey of 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene?
The InChIKey is DWWFLJYIOUKNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-7-2-3-8(5-7)9-6/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene?
3-methyl-2-oxabicyclo[3.2.1]oct-3-ene has a molecular weight of 124.18 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 167253968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).